 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer01_STD_wB97XD_augccpVDZ.in
 Output=31_naproxen_conformer01_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-3790.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      3812.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer01_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer01_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.701650000000      0.861049000000     -0.150441000000
  C                                                -1.142583000000     -0.492061000000     -0.146036000000
  C                                                 0.680291000000      1.135563000000     -0.261208000000
  C                                                 1.611358000000      0.129451000000     -0.370251000000
  C                                                 1.162418000000     -1.214398000000     -0.360965000000
  C                                                -0.168407000000     -1.514023000000     -0.252411000000
  C                                                -1.673067000000      1.886980000000     -0.044418000000
  H                                                 1.002631000000      2.171223000000     -0.269064000000
  H                                                 1.887775000000     -2.015222000000     -0.432725000000
  H                                                -0.492297000000     -2.547618000000     -0.243597000000
  C                                                 3.089483000000      0.433563000000     -0.483088000000
  C                                                 3.712284000000     -0.066300000000     -1.786151000000
  C                                                 3.873459000000     -0.077627000000      0.733351000000
  H                                                 3.203190000000      1.522932000000     -0.441764000000
  H                                                 4.768168000000      0.193895000000     -1.827559000000
  H                                                 3.198059000000      0.378934000000     -2.637902000000
  H                                                 3.635566000000     -1.150409000000     -1.866576000000
  O                                                 4.972607000000     -0.550358000000      0.679433000000
  O                                                 3.255984000000      0.083411000000      1.926913000000
  H                                                 2.348270000000      0.392671000000      1.784838000000
  C                                                -3.000863000000      1.591354000000      0.061295000000
  C                                                -3.436799000000      0.243260000000      0.067154000000
  C                                                -2.523995000000     -0.780170000000     -0.034789000000
  O                                                -4.779617000000      0.081304000000      0.178247000000
  C                                                -5.294817000000     -1.239834000000      0.194020000000
  H                                                -1.347302000000      2.919928000000     -0.048267000000
  H                                                -3.748933000000      2.368268000000      0.142782000000
  H                                                -2.835427000000     -1.814402000000     -0.032567000000
  H                                                -5.057543000000     -1.768200000000     -0.733736000000
  H                                                -6.373003000000     -1.140865000000      0.289516000000
  H                                                -4.903616000000     -1.806841000000      1.043513000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.701650    0.861049   -0.150441
      2          6           0       -1.142583   -0.492061   -0.146036
      3          6           0        0.680291    1.135563   -0.261208
      4          6           0        1.611358    0.129451   -0.370251
      5          6           0        1.162418   -1.214398   -0.360965
      6          6           0       -0.168407   -1.514023   -0.252411
      7          6           0       -1.673067    1.886980   -0.044418
      8          1           0        1.002631    2.171223   -0.269064
      9          1           0        1.887775   -2.015222   -0.432725
     10          1           0       -0.492297   -2.547618   -0.243597
     11          6           0        3.089483    0.433563   -0.483088
     12          6           0        3.712284   -0.066300   -1.786151
     13          6           0        3.873459   -0.077627    0.733351
     14          1           0        3.203190    1.522932   -0.441764
     15          1           0        4.768168    0.193895   -1.827559
     16          1           0        3.198059    0.378934   -2.637902
     17          1           0        3.635566   -1.150409   -1.866576
     18          8           0        4.972607   -0.550358    0.679433
     19          8           0        3.255984    0.083411    1.926913
     20          1           0        2.348270    0.392671    1.784838
     21          6           0       -3.000863    1.591354    0.061295
     22          6           0       -3.436799    0.243260    0.067154
     23          6           0       -2.523995   -0.780170   -0.034789
     24          8           0       -4.779617    0.081304    0.178247
     25          6           0       -5.294817   -1.239834    0.194020
     26          1           0       -1.347302    2.919928   -0.048267
     27          1           0       -3.748933    2.368268    0.142782
     28          1           0       -2.835427   -1.814402   -0.032567
     29          1           0       -5.057543   -1.768200   -0.733736
     30          1           0       -6.373003   -1.140865    0.289516
     31          1           0       -4.903616   -1.806841    1.043513
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.423147   0.000000
     3  C    1.413290   2.446486   0.000000
     4  C    2.435890   2.832091   1.375150   0.000000
     5  C    2.797597   2.425076   2.400982   1.416885   0.000000
     6  C    2.436332   1.415889   2.782206   2.425378   1.368450
     7  C    1.416837   2.439585   2.479903   3.739321   4.214110
     8  H    2.152952   3.422011   1.084692   2.132984   3.390635
     9  H    3.880431   3.403716   3.378592   2.163315   1.082872
    10  H    3.416360   2.158172   3.865371   3.407067   2.128223
    11  C    3.829633   4.345200   2.519175   1.513298   2.538556
    12  C    4.797743   5.142080   3.600404   2.541059   3.138646
    13  C    4.753296   5.109379   3.557710   2.525454   3.136801
    14  H    3.971238   4.799312   2.558842   2.116798   3.415297
    15  H    5.759924   6.183448   4.477827   3.477549   4.139519
    16  H    4.650551   5.080276   3.544054   2.778867   3.444849
    17  H    5.079619   5.120975   4.066513   2.823907   2.896104
    18  O    5.905756   6.170928   4.706497   3.586359   4.005111
    19  O    4.536848   4.896496   3.539646   2.825575   3.361802
    20  H    3.642347   4.086206   2.742325   2.292757   2.931448
    21  C    2.421685   2.799430   3.723258   4.857569   5.038200
    22  C    2.812481   2.418589   4.225453   5.068349   4.843640
    23  C    2.455182   1.415515   3.740153   4.247480   3.726203
    24  O    4.164835   3.696204   5.578098   6.414650   6.105520
    25  C    5.062563   4.232712   6.446058   7.063186   6.481091
    26  H    2.160159   3.419523   2.709324   4.079719   4.846558
    27  H    3.412275   3.880458   4.615278   5.831657   6.100051
    28  H    3.424169   2.151089   4.595089   4.864822   4.055936
    29  H    5.121229   4.159427   6.448090   6.943158   6.255683
    30  H    6.030379   5.288473   7.431983   8.111659   7.563802
    31  H    5.118562   4.158009   6.445158   6.942106   6.254624
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.724793   0.000000
     8  H    3.866865   2.700115   0.000000
     9  H    2.124052   5.296939   4.282124   0.000000
    10  H    1.083190   4.593425   4.950042   2.446213   0.000000
    11  C    3.802650   4.998673   2.724008   2.728220   4.666256
    12  C    4.416789   5.987566   3.827569   2.993141   5.120050
    13  C    4.401323   5.935365   3.782039   3.009476   5.110294
    14  H    4.541654   4.905945   2.300558   3.774776   5.501388
    15  H    5.455992   6.894609   4.529680   3.888756   6.139814
    16  H    4.539488   5.720859   3.693724   3.508794   5.283572
    17  H    4.148247   6.381816   4.529639   2.420455   4.650323
    18  O    5.312910   7.115445   4.905849   3.591505   5.891197
    19  O    4.362075   5.606652   3.776092   3.441533   5.067843
    20  H    3.757596   4.663720   3.031914   3.305691   4.563844
    21  C    4.214805   1.364409   4.058737   6.095099   4.849428
    22  C    3.724587   2.413507   4.851662   5.805317   4.068864
    23  C    2.476832   2.799618   4.604639   4.598633   2.700976
    24  O    4.898346   3.600097   6.164596   7.015898   5.046810
    25  C    5.153112   4.790709   7.176880   7.251459   4.996599
    26  H    4.592536   1.083106   2.476186   5.913479   5.537440
    27  H    5.296086   2.139136   4.773448   7.163705   5.909391
    28  H    2.692871   3.879620   5.538215   4.744375   2.464224
    29  H    4.919342   5.028934   7.242975   6.956225   4.657166
    30  H    6.239386   5.600782   8.104438   8.338260   6.070080
    31  H    4.918065   5.026366   7.240967   6.953107   4.654582
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.528305   0.000000
    13  C    1.534815   2.524677   0.000000
    14  H    1.096067   2.142945   2.095697   0.000000
    15  H    2.164030   1.088259   2.726259   2.477080   0.000000
    16  H    2.158239   1.090019   3.468423   2.476243   1.776552
    17  H    2.172835   1.089792   2.822601   3.060031   1.758256
    18  O    2.421923   2.811020   1.197710   2.947279   2.623112
    19  O    2.440990   3.743991   1.353440   2.772298   4.049070
    20  H    2.386327   3.850085   1.911284   2.639344   4.352566
    21  C    6.223275   7.157319   7.105875   6.224791   8.116557
    22  C    6.552201   7.391884   7.347561   6.781299   8.421037
    23  C    5.760664   6.516752   6.481591   6.186320   7.572217
    24  O    7.904694   8.717398   8.672319   8.135595   9.756851
    25  C    8.576434   9.296565   9.257369   8.958416  10.363688
    26  H    5.104522   6.126762   6.070635   4.776339   6.927922
    27  H    7.134335   8.081934   8.026957   7.027681   9.008393
    28  H    6.353021   7.000245   6.972243   6.911594   8.066592
    29  H    8.443022   8.995216   9.207235   8.896994  10.079229
    30  H    9.623637  10.352589  10.311035   9.966647  11.418813
    31  H    8.440353   9.234187   8.951169   8.888967  10.285398
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.767837   0.000000
    18  O    3.875218   2.937669   0.000000
    19  O    4.574738   4.007113   2.214648   0.000000
    20  H    4.503661   4.167859   2.999728   0.969418   0.000000
    21  C    6.868934   7.434793   8.279206   6.700937   5.746361
    22  C    7.166385   7.463241   8.468933   6.948208   6.036538
    23  C    6.392310   6.436825   7.534054   6.164593   5.331563
    24  O    8.465376   8.747212   9.785502   8.223668   7.313334
    25  C    9.097754   9.165467  10.301990   8.824403   7.975748
    26  H    5.815769   6.686020   7.246632   5.756510   4.837825
    27  H    7.742761   8.423149   9.212580   7.581066   6.616284
    28  H    6.928308   6.758567   7.941671   6.674320   5.919869
    29  H    8.740194   8.788352  10.202161   8.923130   8.115334
    30  H   10.123477  10.238177  11.367656   9.843643   8.980441
    31  H    9.163382   9.045283   9.962484   8.422145   7.614280
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.416839   0.000000
    23  C    2.420901   1.375141   0.000000
    24  O    2.336214   1.357104   2.423913   0.000000
    25  C    3.646295   2.380734   2.817996   1.418127   0.000000
    26  H    2.124000   3.397627   3.882720   4.459807   5.739791
    27  H    1.081593   2.149141   3.382997   2.508739   3.925657
    28  H    3.411063   2.146058   1.080107   2.723604   2.535758
    29  H    4.018533   2.704479   2.807774   2.080774   1.093710
    30  H    4.346083   3.253696   3.879451   2.011208   1.086922
    31  H    4.016584   2.703284   2.807024   2.080662   1.093697
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471570   0.000000
    28  H    4.962725   4.284853   0.000000
    29  H    6.017832   4.426185   2.330573   0.000000
    30  H    6.470070   4.384209   3.615499   1.780738   0.000000
    31  H    6.015122   4.424494   2.331397   1.784321   1.780768
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.22D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.701650    0.861049   -0.150441
      2          6           0       -1.142583   -0.492061   -0.146036
      3          6           0        0.680291    1.135563   -0.261208
      4          6           0        1.611358    0.129451   -0.370251
      5          6           0        1.162418   -1.214398   -0.360965
      6          6           0       -0.168407   -1.514023   -0.252411
      7          6           0       -1.673067    1.886980   -0.044418
      8          1           0        1.002631    2.171223   -0.269064
      9          1           0        1.887775   -2.015222   -0.432725
     10          1           0       -0.492297   -2.547618   -0.243597
     11          6           0        3.089483    0.433563   -0.483088
     12          6           0        3.712284   -0.066300   -1.786151
     13          6           0        3.873459   -0.077627    0.733351
     14          1           0        3.203190    1.522932   -0.441764
     15          1           0        4.768168    0.193895   -1.827559
     16          1           0        3.198059    0.378934   -2.637902
     17          1           0        3.635566   -1.150409   -1.866576
     18          8           0        4.972607   -0.550358    0.679433
     19          8           0        3.255984    0.083411    1.926913
     20          1           0        2.348270    0.392671    1.784838
     21          6           0       -3.000863    1.591354    0.061295
     22          6           0       -3.436799    0.243260    0.067154
     23          6           0       -2.523995   -0.780170   -0.034789
     24          8           0       -4.779617    0.081304    0.178247
     25          6           0       -5.294817   -1.239834    0.194020
     26          1           0       -1.347302    2.919928   -0.048267
     27          1           0       -3.748933    2.368268    0.142782
     28          1           0       -2.835427   -1.814402   -0.032567
     29          1           0       -5.057543   -1.768200   -0.733736
     30          1           0       -6.373003   -1.140865    0.289516
     31          1           0       -4.903616   -1.806841    1.043513
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3888905           0.2034593           0.1967639
 Leave Link  202 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.2190356318 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0210568263 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1134.1979788055 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.41D-06  NBF=   517
 NBsUse=   513 1.00D-06 EigRej=  9.55D-07 NBFU=   513
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               9.0 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:11 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer01_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:13 2021, MaxMem=  5368709120 cpu:              11.3 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.450968456184    
 DIIS: error= 1.53D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.450968456184     IErMin= 1 ErrMin= 1.53D-03
 ErrMax= 1.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.40D-03 BMatP= 9.40D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.53D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.302 Goal=   None    Shift=    0.000
 GapD=    0.302 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.11D-02 MaxDP=6.60D+00              OVMax= 1.37D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.13D-02    CP:  1.54D+00
 E= -767.458317467646     Delta-E=       -0.007349011462 Rises=F Damp=F
 DIIS: error= 2.98D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.458317467646     IErMin= 2 ErrMin= 2.98D-04
 ErrMax= 2.98D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-04 BMatP= 9.40D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.98D-03
 Coeff-Com: -0.263D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.262D-01 0.103D+01
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=8.88D-03 MaxDP=9.69D-01 DE=-7.35D-03 OVMax= 5.30D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.61D-03    CP:  1.63D+00  1.13D+00
 E= -767.458488780988     Delta-E=       -0.000171313342 Rises=F Damp=F
 DIIS: error= 3.10D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -767.458488780988     IErMin= 2 ErrMin= 2.98D-04
 ErrMax= 3.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-04 BMatP= 2.05D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.10D-03
 Coeff-Com: -0.378D-01 0.525D+00 0.513D+00
 Coeff-En:   0.000D+00 0.496D-01 0.950D+00
 Coeff:     -0.377D-01 0.524D+00 0.514D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=6.18D-04 MaxDP=6.67D-02 DE=-1.71D-04 OVMax= 1.81D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.03D-04    CP:  1.64D+00  1.14D+00  1.09D+00
 E= -767.458629958186     Delta-E=       -0.000141177198 Rises=F Damp=F
 DIIS: error= 4.99D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.458629958186     IErMin= 4 ErrMin= 4.99D-05
 ErrMax= 4.99D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.65D-06 BMatP= 2.03D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.343D-02-0.171D-01 0.903D-01 0.930D+00
 Coeff:     -0.343D-02-0.171D-01 0.903D-01 0.930D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=3.03D-04 MaxDP=3.33D-02 DE=-1.41D-04 OVMax= 1.04D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.10D-05    CP:  1.64D+00  1.15D+00  1.16D+00  1.34D+00
 E= -767.458637275655     Delta-E=       -0.000007317470 Rises=F Damp=F
 DIIS: error= 2.17D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.458637275655     IErMin= 5 ErrMin= 2.17D-05
 ErrMax= 2.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-06 BMatP= 4.65D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.200D-02-0.547D-01-0.144D-01 0.389D+00 0.678D+00
 Coeff:      0.200D-02-0.547D-01-0.144D-01 0.389D+00 0.678D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=3.45D-05 MaxDP=2.91D-03 DE=-7.32D-06 OVMax= 3.99D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.02D-05    CP:  1.64D+00  1.15D+00  1.17D+00  1.45D+00  1.16D+00
 E= -767.458638743595     Delta-E=       -0.000001467939 Rises=F Damp=F
 DIIS: error= 1.15D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.458638743595     IErMin= 6 ErrMin= 1.15D-05
 ErrMax= 1.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-07 BMatP= 1.16D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.134D-02-0.220D-01-0.181D-01 0.517D-01 0.297D+00 0.690D+00
 Coeff:      0.134D-02-0.220D-01-0.181D-01 0.517D-01 0.297D+00 0.690D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=1.78D-05 MaxDP=1.69D-03 DE=-1.47D-06 OVMax= 1.83D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.16D-06    CP:  1.64D+00  1.15D+00  1.16D+00  1.47D+00  1.23D+00
                    CP:  1.14D+00
 E= -767.458638990452     Delta-E=       -0.000000246858 Rises=F Damp=F
 DIIS: error= 5.02D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.458638990452     IErMin= 7 ErrMin= 5.02D-06
 ErrMax= 5.02D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.71D-08 BMatP= 1.79D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.202D-03 0.573D-03-0.412D-02-0.474D-01-0.111D-02 0.270D+00
 Coeff-Com:  0.782D+00
 Coeff:      0.202D-03 0.573D-03-0.412D-02-0.474D-01-0.111D-02 0.270D+00
 Coeff:      0.782D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=1.34D-05 MaxDP=1.38D-03 DE=-2.47D-07 OVMax= 1.11D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.28D-06    CP:  1.64D+00  1.15D+00  1.16D+00  1.47D+00  1.26D+00
                    CP:  1.18D+00  1.31D+00
 E= -767.458639045000     Delta-E=       -0.000000054547 Rises=F Damp=F
 DIIS: error= 1.82D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.458639045000     IErMin= 8 ErrMin= 1.82D-06
 ErrMax= 1.82D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.99D-09 BMatP= 2.71D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.157D-03 0.383D-02 0.205D-02-0.241D-01-0.516D-01-0.416D-01
 Coeff-Com:  0.258D+00 0.854D+00
 Coeff:     -0.157D-03 0.383D-02 0.205D-02-0.241D-01-0.516D-01-0.416D-01
 Coeff:      0.258D+00 0.854D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=3.97D-06 MaxDP=3.58D-04 DE=-5.45D-08 OVMax= 5.81D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.13D-06    CP:  1.64D+00  1.15D+00  1.16D+00  1.47D+00  1.26D+00
                    CP:  1.21D+00  1.34D+00  1.40D+00
 E= -767.458639054476     Delta-E=       -0.000000009476 Rises=F Damp=F
 DIIS: error= 8.73D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.458639054476     IErMin= 9 ErrMin= 8.73D-07
 ErrMax= 8.73D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.07D-10 BMatP= 3.99D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.871D-04 0.152D-02 0.140D-02-0.477D-02-0.223D-01-0.542D-01
 Coeff-Com:  0.145D-01 0.389D+00 0.675D+00
 Coeff:     -0.871D-04 0.152D-02 0.140D-02-0.477D-02-0.223D-01-0.542D-01
 Coeff:      0.145D-01 0.389D+00 0.675D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=9.80D-07 MaxDP=7.82D-05 DE=-9.48D-09 OVMax= 1.82D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.48D-07    CP:  1.64D+00  1.15D+00  1.16D+00  1.47D+00  1.26D+00
                    CP:  1.20D+00  1.37D+00  1.44D+00  1.08D+00
 E= -767.458639055815     Delta-E=       -0.000000001339 Rises=F Damp=F
 DIIS: error= 2.11D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.458639055815     IErMin=10 ErrMin= 2.11D-07
 ErrMax= 2.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.15D-11 BMatP= 8.07D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.153D-05-0.177D-03 0.887D-04 0.279D-02 0.266D-02-0.907D-02
 Coeff-Com: -0.415D-01-0.328D-01 0.174D+00 0.904D+00
 Coeff:     -0.153D-05-0.177D-03 0.887D-04 0.279D-02 0.266D-02-0.907D-02
 Coeff:     -0.415D-01-0.328D-01 0.174D+00 0.904D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=1.05D-06 MaxDP=9.92D-05 DE=-1.34D-09 OVMax= 7.64D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.19D-07    CP:  1.64D+00  1.15D+00  1.16D+00  1.47D+00  1.26D+00
                    CP:  1.20D+00  1.36D+00  1.46D+00  1.08D+00  1.16D+00
 E= -767.458639055888     Delta-E=       -0.000000000073 Rises=F Damp=F
 DIIS: error= 7.55D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.458639055888     IErMin=11 ErrMin= 7.55D-08
 ErrMax= 7.55D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-11 BMatP= 6.15D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.103D-04-0.267D-03-0.137D-03 0.177D-02 0.383D-02 0.235D-02
 Coeff-Com: -0.194D-01-0.556D-01-0.730D-02 0.375D+00 0.700D+00
 Coeff:      0.103D-04-0.267D-03-0.137D-03 0.177D-02 0.383D-02 0.235D-02
 Coeff:     -0.194D-01-0.556D-01-0.730D-02 0.375D+00 0.700D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=2.39D-07 MaxDP=2.41D-05 DE=-7.32D-11 OVMax= 1.83D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.12D-08    CP:  1.64D+00  1.15D+00  1.16D+00  1.47D+00  1.26D+00
                    CP:  1.20D+00  1.36D+00  1.45D+00  1.08D+00  1.19D+00
                    CP:  1.06D+00
 E= -767.458639055908     Delta-E=       -0.000000000020 Rises=F Damp=F
 DIIS: error= 2.56D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -767.458639055908     IErMin=12 ErrMin= 2.56D-08
 ErrMax= 2.56D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-12 BMatP= 1.20D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.322D-05-0.585D-04-0.546D-04 0.166D-03 0.855D-03 0.196D-02
 Coeff-Com: -0.568D-03-0.117D-01-0.275D-01 0.317D-02 0.219D+00 0.814D+00
 Coeff:      0.322D-05-0.585D-04-0.546D-04 0.166D-03 0.855D-03 0.196D-02
 Coeff:     -0.568D-03-0.117D-01-0.275D-01 0.317D-02 0.219D+00 0.814D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=3.79D-08 MaxDP=2.13D-06 DE=-2.05D-11 OVMax= 8.59D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.44D-08    CP:  1.64D+00  1.15D+00  1.16D+00  1.47D+00  1.26D+00
                    CP:  1.20D+00  1.36D+00  1.45D+00  1.07D+00  1.19D+00
                    CP:  1.11D+00  1.07D+00
 E= -767.458639055954     Delta-E=       -0.000000000045 Rises=F Damp=F
 DIIS: error= 1.08D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -767.458639055954     IErMin=13 ErrMin= 1.08D-08
 ErrMax= 1.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.83D-13 BMatP= 1.10D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.178D-06 0.134D-04-0.139D-07-0.161D-03-0.166D-03 0.392D-03
 Coeff-Com:  0.197D-02 0.308D-02-0.964D-02-0.432D-01-0.188D-01 0.280D+00
 Coeff-Com:  0.787D+00
 Coeff:     -0.178D-06 0.134D-04-0.139D-07-0.161D-03-0.166D-03 0.392D-03
 Coeff:      0.197D-02 0.308D-02-0.964D-02-0.432D-01-0.188D-01 0.280D+00
 Coeff:      0.787D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=3.29D-08 MaxDP=3.23D-06 DE=-4.55D-11 OVMax= 4.15D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  8.62D-09    CP:  1.64D+00  1.15D+00  1.16D+00  1.47D+00  1.26D+00
                    CP:  1.20D+00  1.36D+00  1.45D+00  1.07D+00  1.18D+00
                    CP:  1.12D+00  1.11D+00  1.07D+00
 E= -767.458639056184     Delta-E=       -0.000000000230 Rises=F Damp=F
 DIIS: error= 8.02D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -767.458639056184     IErMin=14 ErrMin= 8.02D-09
 ErrMax= 8.02D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.43D-14 BMatP= 1.83D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.621D-06 0.150D-04 0.102D-04-0.924D-04-0.212D-03-0.196D-03
 Coeff-Com:  0.796D-03 0.336D-02 0.690D-03-0.161D-01-0.458D-01-0.348D-01
 Coeff-Com:  0.286D+00 0.807D+00
 Coeff:     -0.621D-06 0.150D-04 0.102D-04-0.924D-04-0.212D-03-0.196D-03
 Coeff:      0.796D-03 0.336D-02 0.690D-03-0.161D-01-0.458D-01-0.348D-01
 Coeff:      0.286D+00 0.807D+00
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=1.42D-08 MaxDP=1.55D-06 DE=-2.30D-10 OVMax= 2.31D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  3.87D-09    CP:  1.64D+00  1.15D+00  1.16D+00  1.47D+00  1.26D+00
                    CP:  1.20D+00  1.36D+00  1.45D+00  1.07D+00  1.18D+00
                    CP:  1.12D+00  1.13D+00  1.18D+00  1.04D+00
 E= -767.458639056019     Delta-E=        0.000000000164 Rises=F Damp=F
 DIIS: error= 2.88D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=14 EnMin= -767.458639056184     IErMin=15 ErrMin= 2.88D-09
 ErrMax= 2.88D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.30D-15 BMatP= 3.43D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.748D-07 0.667D-07 0.194D-05 0.123D-04-0.788D-05-0.108D-03
 Coeff-Com: -0.215D-03 0.702D-04 0.162D-02 0.528D-02-0.384D-02-0.541D-01
 Coeff-Com: -0.944D-01 0.102D+00 0.104D+01
 Coeff:     -0.748D-07 0.667D-07 0.194D-05 0.123D-04-0.788D-05-0.108D-03
 Coeff:     -0.215D-03 0.702D-04 0.162D-02 0.528D-02-0.384D-02-0.541D-01
 Coeff:     -0.944D-01 0.102D+00 0.104D+01
 Gap=     0.303 Goal=   None    Shift=    0.000
 RMSDP=2.98D-09 MaxDP=2.36D-07 DE= 1.64D-10 OVMax= 1.35D-07

 SCF Done:  E(RwB97XD) =  -767.458639056     A.U. after   15 cycles
            NFock= 15  Conv=0.30D-08     -V/T= 2.0058
 KE= 7.630467165562D+02 PE=-4.055966724971D+03 EE= 1.391263390553D+03
 Leave Link  502 at Fri Aug 13 11:13:21 2021, MaxMem=  5368709120 cpu:           12532.7 elap:            1568.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   513
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    513 NOA=    61 NOB=    61 NVA=   452 NVB=   452

 **** Warning!!: The largest alpha MO coefficient is  0.94164916D+02

 Leave Link  801 at Fri Aug 13 11:13:22 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.60D-13 8.33D-09 XBig12= 1.00D+00 4.90D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.60D-13 8.33D-09 XBig12= 2.23D-01 1.03D-01.
     11 vectors produced by pass  2 Test12= 4.60D-13 8.33D-09 XBig12= 5.68D-02 1.09D-01.
     11 vectors produced by pass  3 Test12= 4.60D-13 8.33D-09 XBig12= 7.50D-03 3.60D-02.
     11 vectors produced by pass  4 Test12= 4.60D-13 8.33D-09 XBig12= 1.69D-03 1.45D-02.
     11 vectors produced by pass  5 Test12= 4.60D-13 8.33D-09 XBig12= 2.59D-04 4.45D-03.
     11 vectors produced by pass  6 Test12= 4.60D-13 8.33D-09 XBig12= 1.45D-05 7.58D-04.
     11 vectors produced by pass  7 Test12= 4.60D-13 8.33D-09 XBig12= 6.68D-07 1.06D-04.
     11 vectors produced by pass  8 Test12= 4.60D-13 8.33D-09 XBig12= 3.28D-08 3.71D-05.
     11 vectors produced by pass  9 Test12= 4.60D-13 8.33D-09 XBig12= 1.39D-09 6.84D-06.
     11 vectors produced by pass 10 Test12= 4.60D-13 8.33D-09 XBig12= 4.82D-11 1.10D-06.
      8 vectors produced by pass 11 Test12= 4.60D-13 8.33D-09 XBig12= 1.78D-12 1.56D-07.
      6 vectors produced by pass 12 Test12= 4.60D-13 8.33D-09 XBig12= 8.48D-14 2.79D-08.
      1 vectors produced by pass 13 Test12= 4.60D-13 8.33D-09 XBig12= 5.42D-14 1.55D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   136 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.300754D+03
      2 -0.917743D+01  0.173544D+03
      3 -0.130669D+02  0.212507D+01  0.122047D+03
 Isotropic polarizability for W=    0.088559      198.78 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.275744D+03 -0.879030D+02  0.433196D+02
      2   0.872238D+02  0.685517D+02  0.654152D+01
      3   0.188521D+03  0.193513D+02 -0.498611D+02
      4  -0.799840D+02 -0.173018D+03 -0.109766D+01
      5  -0.344265D+02 -0.254624D+01  0.711136D+02
      6  -0.361163D+01 -0.464354D+02 -0.124960D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.295662D+01 -0.253932D+02  0.292056D+01
      2   0.454851D+02  0.844361D+00  0.290163D+02
      3   0.780045D+02  0.702690D+02 -0.275353D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.144858D+01 -0.529769D+02  0.318473D+02
      2   0.777460D+02  0.251396D+01 -0.117407D+03
      3   0.791900D+01  0.260242D+03 -0.106538D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.131673D+01 -0.192684D+01 -0.152605D+02
      2  -0.192684D+01 -0.222658D+01 -0.696699D+01
      3  -0.152605D+02 -0.696699D+01 -0.132248D+01
 OR G Eigenvalues:   -18.9945    -0.6202    14.7490  Iso=     1.6219
 Eigenvectors:
   (1)   0.632175   0.358129   0.687095
   (2)  -0.409740   0.907154  -0.095839
   (3)  -0.657623  -0.220943   0.720219
 w=    0.088559 a.u., Optical Rotation Beta=      1.6219 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      357.18 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 3.73D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.01D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.66D-14 2.78D-09 XBig12= 1.00D+00 4.00D-01.
     30 vectors produced by pass  1 Test12= 7.66D-14 2.78D-09 XBig12= 6.12D-02 4.58D-02.
     30 vectors produced by pass  2 Test12= 7.66D-14 2.78D-09 XBig12= 4.48D-03 2.19D-02.
     30 vectors produced by pass  3 Test12= 7.66D-14 2.78D-09 XBig12= 1.05D-04 1.56D-03.
     30 vectors produced by pass  4 Test12= 7.66D-14 2.78D-09 XBig12= 4.81D-06 3.05D-04.
     30 vectors produced by pass  5 Test12= 7.66D-14 2.78D-09 XBig12= 1.08D-07 3.07D-05.
     30 vectors produced by pass  6 Test12= 7.66D-14 2.78D-09 XBig12= 1.89D-09 4.36D-06.
     30 vectors produced by pass  7 Test12= 7.66D-14 2.78D-09 XBig12= 2.56D-11 5.01D-07.
     30 vectors produced by pass  8 Test12= 7.66D-14 2.78D-09 XBig12= 3.16D-13 5.39D-08.
     10 vectors produced by pass  9 Test12= 7.66D-14 2.78D-09 XBig12= 1.66D-14 1.02D-08.
      3 vectors produced by pass 10 Test12= 7.66D-14 2.78D-09 XBig12= 1.45D-14 7.46D-09.
      1 vectors produced by pass 11 Test12= 7.66D-14 2.78D-09 XBig12= 4.95D-15 6.03D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   284 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 7.94D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 7.94D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.90D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.300754D+03 -0.917743D+01 -0.130669D+02
      2  -0.917743D+01  0.173544D+03  0.212507D+01
      3  -0.130669D+02  0.212507D+01  0.122047D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.295662D+01 -0.253932D+02  0.292056D+01
      2   0.454851D+02  0.844361D+00  0.290163D+02
      3   0.780045D+02  0.702690D+02 -0.275353D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.275744D+03 -0.879030D+02  0.433196D+02
      2   0.872238D+02  0.685517D+02  0.654152D+01
      3   0.188521D+03  0.193513D+02 -0.498611D+02
      4  -0.799840D+02 -0.173018D+03 -0.109766D+01
      5  -0.344265D+02 -0.254624D+01  0.711136D+02
      6  -0.361163D+01 -0.464354D+02 -0.124960D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.320301D+02 -0.196249D+01 -0.199547D+01  0.473770D+02 -0.812796D+01
      2  -0.196249D+01 -0.468470D+00  0.331325D+00 -0.812796D+01  0.844882D+01
      3  -0.199547D+01  0.331325D+00 -0.105757D+00 -0.371436D+01  0.805300D+00
                 6             7             8             9            10 
      1  -0.371436D+01 -0.121773D+01 -0.875446D-02  0.118326D+01 -0.356662D+02
      2   0.805300D+00 -0.875446D-02  0.139380D+00  0.136724D+01  0.289644D+01
      3  -0.282361D+00  0.118326D+01  0.136724D+01 -0.510927D-01  0.223915D+01
                11            12            13            14            15 
      1   0.289644D+01  0.223915D+01 -0.472483D+02  0.742884D+01  0.377683D+01
      2  -0.410448D+01 -0.244779D+00  0.742884D+01 -0.672896D+01 -0.853317D+00
      3  -0.244779D+00  0.229304D+00  0.377683D+01 -0.853317D+00  0.332824D+00
                16            17            18            19            20 
      1   0.177511D+01 -0.170294D+00 -0.118089D+01 -0.422553D+02  0.527147D+01
      2  -0.170294D+00  0.293001D+00 -0.118428D+01  0.527147D+01 -0.440371D+01
      3  -0.118089D+01 -0.118428D+01 -0.207946D-01  0.216172D+01 -0.293206D+00
                21            22            23            24            25 
      1   0.216172D+01  0.188490D+02 -0.211468D+01 -0.325083D+00  0.420415D+01
      2  -0.293206D+00 -0.211468D+01  0.359637D+01  0.257658D+00  0.138175D+00
      3  -0.421969D+00 -0.325083D+00  0.257658D+00  0.238202D+01  0.127544D+01
                26            27            28            29            30 
      1   0.138175D+00  0.127544D+01  0.467564D+02 -0.311175D+01 -0.135857D+01
      2   0.192889D+00  0.377488D+01 -0.311175D+01  0.388216D+01  0.257995D+00
      3   0.377488D+01  0.855798D-02 -0.135857D+01  0.257995D+00  0.239245D+01
                31            32            33            34            35 
      1  -0.591169D+01  0.689021D+00  0.244603D+00  0.157997D+00  0.498158D-01
      2   0.689021D+00 -0.799477D+01 -0.566843D+00  0.498158D-01 -0.966574D+00
      3   0.244603D+00 -0.566843D+00 -0.599082D+00  0.679553D+01 -0.739339D+00
                36            37            38            39            40 
      1   0.679553D+01  0.865458D+01 -0.119543D+00 -0.369370D+00 -0.878635D+01
      2  -0.739339D+00 -0.119543D+00  0.905194D+01  0.308583D+00  0.188059D+01
      3  -0.764794D+00 -0.369370D+00  0.308583D+00  0.220489D+01  0.323426D-01
                41            42            43            44            45 
      1   0.188059D+01  0.323426D-01 -0.101085D+01 -0.146018D+00  0.427282D+01
      2   0.372301D+01  0.105131D+00 -0.146018D+00 -0.661428D+00 -0.236839D+01
      3   0.105131D+00 -0.107315D+01  0.427282D+01 -0.236839D+01 -0.126695D+01
                46            47            48            49            50 
      1  -0.122320D+02  0.107362D+01  0.114207D+01 -0.110127D+01  0.128865D+01
      2   0.107362D+01 -0.574925D+01 -0.912511D+00  0.128865D+01 -0.770796D+00
      3   0.114207D+01 -0.912511D+00 -0.183300D+01  0.669733D-02  0.434108D-03
                51            52            53            54            55 
      1   0.669733D-02  0.775768D+00 -0.460136D+00 -0.114536D+01  0.145553D+02
      2   0.434108D-03 -0.460136D+00  0.623796D+00 -0.404973D+01 -0.366816D+01
      3  -0.166382D+01 -0.114536D+01 -0.404973D+01 -0.963430D-01 -0.107974D+01
                56            57            58            59            60 
      1  -0.366816D+01 -0.107974D+01 -0.583209D+00 -0.117167D+01  0.211465D+00
      2   0.104500D+02  0.692424D+00 -0.117167D+01  0.169936D+00 -0.403852D-01
      3   0.692424D+00  0.211981D+01  0.211465D+00 -0.403852D-01  0.181499D+01
                61            62            63            64            65 
      1  -0.111852D+01  0.600539D+00  0.103132D+01  0.104643D+01  0.216740D+01
      2   0.600539D+00 -0.107189D+01  0.408702D+01  0.216740D+01  0.154624D+01
      3   0.103132D+01  0.408702D+01 -0.246472D+00 -0.679717D-01 -0.167000D+00
                66            67            68            69            70 
      1  -0.679717D-01  0.242537D+01  0.298928D+01 -0.143808D+00 -0.228328D+00
      2  -0.167000D+00  0.298928D+01  0.756849D+01 -0.238523D+00 -0.161198D+00
      3   0.159249D+00 -0.143808D+00 -0.238523D+00  0.741482D+00 -0.949861D-01
                71            72            73            74            75 
      1  -0.161198D+00 -0.949861D-01  0.595904D+01 -0.287967D+01 -0.594605D+00
      2  -0.488230D-01  0.748183D-01 -0.287967D+01  0.265744D+01  0.258363D+00
      3   0.748183D-01 -0.524222D-01 -0.594605D+00  0.258363D+00  0.487389D+00
                76            77            78            79            80 
      1  -0.397498D+01  0.409667D+01  0.464303D+00 -0.681440D+00  0.200381D+00
      2   0.409667D+01 -0.491637D+01 -0.449080D+00  0.200381D+00 -0.218621D+00
      3   0.464303D+00 -0.449080D+00 -0.694667D+00 -0.366525D+00 -0.209502D+00
                81            82            83            84            85 
      1  -0.366525D+00 -0.101274D+01 -0.150207D+01  0.415492D-01 -0.744831D+00
      2  -0.209502D+00 -0.150207D+01 -0.208765D+01  0.639674D-01 -0.143238D+01
      3   0.453159D-01  0.415492D-01  0.639674D-01 -0.149098D+00 -0.626143D-01
                86            87            88            89            90 
      1  -0.143238D+01 -0.626143D-01  0.181925D+00  0.110415D+00  0.970168D-01
      2  -0.991651D+01 -0.142034D+00  0.110415D+00 -0.774462D-02 -0.900639D-01
      3  -0.142034D+00 -0.814018D+00  0.970168D-01 -0.900639D-01 -0.144727D-01
                91            92            93            94            95 
      1  -0.153390D+02  0.192540D+01  0.144031D+00  0.218442D+01 -0.627194D+00
      2   0.192540D+01 -0.285060D+00 -0.110935D+00 -0.627194D+00 -0.488924D+01
      3   0.144031D+00 -0.110935D+00 -0.352519D+01 -0.110110D+01 -0.508105D-01
                96            97            98            99           100 
      1  -0.110110D+01 -0.618450D-01 -0.480134D+00 -0.781663D+01 -0.682195D+01
      2  -0.508105D-01 -0.480134D+00 -0.297590D+00  0.139777D+01 -0.232679D+01
      3   0.140771D+01 -0.781663D+01  0.139777D+01  0.171262D+00  0.126585D+01
               101           102           103           104           105 
      1  -0.232679D+01  0.126585D+01 -0.588511D+01  0.666486D+00  0.876549D+00
      2   0.295471D+00 -0.243115D+00  0.666486D+00  0.446673D+01  0.120627D+01
      3  -0.243115D+00  0.359798D+01  0.876549D+00  0.120627D+01 -0.281164D+01
               106           107           108           109           110 
      1  -0.481289D+01  0.559375D+00  0.555629D+01 -0.672714D+01  0.234192D+01
      2   0.559375D+00  0.526191D+00 -0.225486D+01  0.234192D+01 -0.601461D+00
      3   0.555629D+01 -0.225486D+01 -0.561792D+00 -0.675783D-01  0.350207D+00
               111           112           113           114           115 
      1  -0.675783D-01  0.175809D+01 -0.500589D+00  0.715355D+00  0.762706D+01
      2   0.350207D+00 -0.500589D+00  0.917922D+00  0.248509D+00 -0.409808D+00
      3   0.162660D+01  0.715355D+00  0.248509D+00 -0.825968D+00  0.446926D+01
               116           117           118           119           120 
      1  -0.409808D+00  0.446926D+01 -0.109734D+01  0.133193D+01  0.420181D-01
      2   0.117440D+01 -0.583361D+00  0.133193D+01  0.790818D+00 -0.840017D-01
      3  -0.583361D+00  0.655017D+00  0.420181D-01 -0.840017D-01  0.829400D+00
               121           122           123           124           125 
      1   0.317968D+01  0.193425D+01 -0.220403D-01  0.510124D+00 -0.418874D-01
      2   0.193425D+01  0.646534D+01 -0.264974D+00 -0.418874D-01 -0.440124D-01
      3  -0.220403D-01 -0.264974D+00  0.139279D+01  0.118921D+01  0.816491D+00
               126           127           128           129           130 
      1   0.118921D+01  0.146593D+02  0.130837D+01 -0.338772D+01  0.288850D+01
      2   0.816491D+00  0.130837D+01  0.113550D+01 -0.181438D+00  0.141604D+01
      3  -0.299520D+00 -0.338772D+01 -0.181438D+00  0.219080D+01 -0.838174D+00
               131           132           133           134           135 
      1   0.141604D+01 -0.838174D+00 -0.101426D+01 -0.181648D+00  0.104825D+01
      2   0.261781D+00 -0.470303D+00 -0.181648D+00 -0.307686D-02  0.395008D+00
      3  -0.470303D+00  0.876099D+00  0.104825D+01  0.395008D+00 -0.422489D+00
               136           137           138           139           140 
      1  -0.461381D+00  0.529655D+00 -0.854673D+00  0.128227D+01 -0.492326D-01
      2   0.529655D+00 -0.633236D+00  0.513528D+00 -0.492326D-01  0.720011D+00
      3  -0.854673D+00  0.513528D+00 -0.304004D+01 -0.198298D+00 -0.150943D+01
               141           142           143           144           145 
      1  -0.198298D+00 -0.668253D+00 -0.130737D-01 -0.446598D+00  0.716911D+00
      2  -0.150943D+01 -0.130737D-01 -0.128842D+01  0.155774D+01 -0.720674D+00
      3   0.275376D+01 -0.446598D+00  0.155774D+01 -0.678627D+01 -0.148037D+00
               146           147           148           149           150 
      1  -0.720674D+00 -0.148037D+00 -0.240395D+01  0.777221D+00  0.940581D+00
      2   0.520980D-01  0.303598D-01  0.777221D+00 -0.603404D+01 -0.164787D+01
      3   0.303598D-01 -0.493243D+00  0.940581D+00 -0.164787D+01 -0.201527D+01
               151           152           153           154           155 
      1   0.890185D-01  0.224125D+00 -0.142279D+00  0.193795D+02 -0.343654D+01
      2   0.224125D+00 -0.731976D+00 -0.727795D+00 -0.343654D+01  0.202734D+01
      3  -0.142279D+00 -0.727795D+00 -0.721860D+00  0.103574D+01 -0.296868D+00
               156           157           158           159           160 
      1   0.103574D+01 -0.592698D+01  0.454913D+01 -0.575899D+00  0.129810D+01
      2  -0.296868D+00  0.454913D+01 -0.302654D+01  0.244164D+00 -0.333759D+00
      3   0.263261D+01 -0.575899D+00  0.244164D+00 -0.905581D+00  0.245388D+01
               161           162           163           164           165 
      1  -0.333759D+00  0.245388D+01  0.119827D+02 -0.127807D+01  0.401434D+01
      2  -0.419968D+00 -0.839939D+00 -0.127807D+01  0.892447D-01  0.199933D+00
      3  -0.839939D+00 -0.327232D+00  0.401434D+01  0.199933D+00  0.101947D+01
               166           167           168           169           170 
      1  -0.359758D+01  0.242419D+00 -0.660321D+00  0.183808D+01  0.487110D+00
      2   0.242419D+00  0.194012D+00  0.145324D+01  0.487110D+00  0.489083D+00
      3  -0.660321D+00  0.145324D+01 -0.439105D+00  0.937422D+00  0.306745D+00
               171           172           173           174           175 
      1   0.937422D+00 -0.109317D+02  0.100734D+01 -0.235351D+01  0.288648D+01
      2   0.306745D+00  0.100734D+01 -0.317607D+00 -0.180426D+00 -0.112216D+00
      3   0.756759D+01 -0.235351D+01 -0.180426D+00 -0.294915D+01  0.562849D+00
               176           177           178           179           180 
      1  -0.112216D+00  0.562849D+00 -0.684173D+01  0.146369D+00 -0.278445D+01
      2   0.610741D+00  0.731051D+00  0.146369D+00  0.102419D+01  0.295074D+00
      3   0.731051D+00  0.997487D+00 -0.278445D+01  0.295074D+00  0.182604D+00
               181           182           183           184           185 
      1  -0.130565D+02  0.133213D+01  0.431702D+00  0.605402D+01  0.637027D-01
      2   0.133213D+01 -0.113353D+02  0.132652D+00  0.637027D-01 -0.647236D+01
      3   0.431702D+00  0.132652D+00 -0.256627D+01 -0.216246D+00 -0.891276D-01
               186           187           188           189           190 
      1  -0.216246D+00  0.355755D+00  0.255982D+00 -0.520717D+01 -0.364224D+02
      2  -0.891276D-01  0.255982D+00  0.655356D+00  0.309684D+01  0.102778D+01
      3   0.133081D+01 -0.520717D+01  0.309684D+01  0.119690D+01  0.177086D+01
               191           192           193           194           195 
      1   0.102778D+01  0.177086D+01  0.143617D+02 -0.385439D+00 -0.803800D+00
      2  -0.709122D+01 -0.120518D+00 -0.385439D+00  0.141935D+02  0.103407D+00
      3  -0.120518D+00 -0.406282D+01 -0.803800D+00  0.103407D+00  0.327604D+00
               196           197           198           199           200 
      1   0.218107D+01  0.120266D+00 -0.691544D+01  0.400617D+02 -0.414264D+01
      2   0.120266D+00  0.898580D+00  0.606798D+00 -0.414264D+01  0.833158D+01
      3  -0.691544D+01  0.606798D+00  0.136220D+01 -0.278737D+01  0.106861D-01
               201           202           203           204           205 
      1  -0.278737D+01 -0.175699D+02 -0.630274D+00  0.105332D+01 -0.381658D+01
      2   0.106861D-01 -0.630274D+00 -0.565838D+01  0.975255D-01 -0.214175D-02
      3   0.426867D+00  0.105332D+01  0.975255D-01 -0.281300D+01  0.320608D+00
               206           207           208           209           210 
      1  -0.214175D-02  0.320608D+00  0.573741D+01  0.128153D+01 -0.343869D+00
      2  -0.678039D+00 -0.376742D+01  0.128153D+01  0.225390D+01  0.435742D-01
      3  -0.376742D+01 -0.282959D+00 -0.343869D+00  0.435742D-01  0.766655D+00
               211           212           213           214           215 
      1   0.211077D+01 -0.163416D+01 -0.303559D+00 -0.449674D+00 -0.990960D-01
      2  -0.163416D+01  0.190890D+01  0.200999D+00 -0.990960D-01 -0.170878D+00
      3  -0.303559D+00  0.200999D+00 -0.929719D+00 -0.297672D+00  0.362720D+00
               216           217           218           219           220 
      1  -0.297672D+00  0.328086D+01 -0.145181D+01 -0.485797D+00 -0.356801D+01
      2   0.362720D+00 -0.145181D+01 -0.296269D+01  0.438858D+00 -0.598072D-01
      3  -0.108108D-01 -0.485797D+00  0.438858D+00 -0.221376D+01  0.767206D+00
               221           222           223           224           225 
      1  -0.598072D-01  0.767206D+00 -0.263610D+00  0.476803D+00  0.713684D+00
      2  -0.127728D+01 -0.248020D+00  0.476803D+00  0.477604D-01  0.415289D+01
      3  -0.248020D+00  0.561048D+01  0.713684D+00  0.415289D+01  0.427420D+00
               226           227           228           229           230 
      1   0.745801D+00  0.127011D+01 -0.448413D-01  0.348638D+00  0.820959D+00
      2   0.127011D+01  0.234940D+01 -0.606797D-01  0.820959D+00  0.104584D+02
      3  -0.448413D-01 -0.606797D-01  0.157917D+00  0.587745D-01  0.883746D-01
               231           232           233           234           235 
      1   0.587745D-01 -0.726476D-01 -0.691842D-01 -0.223894D+00 -0.707836D+01
      2   0.883746D-01 -0.691842D-01  0.420424D-01  0.149552D+00  0.451412D+01
      3   0.830416D+00 -0.223894D+00  0.149552D+00  0.562822D-01  0.657216D+00
               236           237           238           239           240 
      1   0.451412D+01  0.657216D+00  0.511399D+01 -0.506057D+01 -0.467342D+00
      2  -0.391878D+01 -0.416328D+00 -0.506057D+01  0.584261D+01  0.503774D+00
      3  -0.416328D+00 -0.658898D+00 -0.467342D+00  0.503774D+00  0.751024D+00
               241           242           243           244           245 
      1   0.759735D+00 -0.468780D+00  0.336872D+00 -0.172385D+01 -0.218948D+01
      2  -0.468780D+00  0.432900D+00  0.238420D+00 -0.218948D+01 -0.116608D+01
      3   0.336872D+00  0.238420D+00  0.532723D-02  0.780164D-01  0.160350D+00
               246           247           248           249           250 
      1   0.780164D-01 -0.316061D+01 -0.308026D+01  0.125152D+00  0.329885D-01
      2   0.160350D+00 -0.308026D+01 -0.661200D+01  0.813113D-01  0.124121D+00
      3  -0.611967D-01  0.125152D+00  0.813113D-01 -0.530816D+00 -0.369314D-01
               251           252           253           254           255 
      1   0.124121D+00 -0.369314D-01  0.302742D+00  0.408341D+00 -0.628129D+00
      2  -0.670999D-01  0.140474D+00  0.408341D+00  0.456548D+00  0.352062D-01
      3   0.140474D+00 -0.585484D-02 -0.628129D+00  0.352062D-01  0.920136D+00
               256           257           258           259           260 
      1  -0.777375D+00 -0.150783D+01 -0.103363D+01 -0.346548D+01 -0.202741D+01
      2  -0.150783D+01 -0.258500D+01 -0.186270D+01 -0.202741D+01 -0.247622D+01
      3  -0.103363D+01 -0.186270D+01 -0.238929D+01 -0.194586D+01 -0.265882D+01
               261           262           263           264           265 
      1  -0.194586D+01 -0.156958D+02 -0.139463D+01  0.105627D+01  0.110076D+01
      2  -0.265882D+01 -0.139463D+01 -0.109879D+01  0.779897D-01 -0.105415D+01
      3  -0.479811D+01  0.105627D+01  0.779897D-01 -0.121067D+01 -0.882663D-01
               266           267           268           269           270 
      1  -0.105415D+01 -0.882663D-01  0.118201D+01  0.892118D-01 -0.148280D+01
      2   0.218148D+00  0.107116D+00  0.892118D-01  0.122271D+00 -0.466388D+00
      3   0.107116D+00 -0.790014D-01 -0.148280D+01 -0.466388D+00  0.318914D+00
               271           272           273           274           275 
      1   0.652764D+00  0.496764D+00  0.486722D+00 -0.680661D+00 -0.129484D+01
      2   0.496764D+00  0.854163D+00 -0.594196D+00 -0.129484D+01 -0.288254D+01
      3   0.486722D+00 -0.594196D+00  0.152955D+01  0.718503D+00  0.219915D+01
               276           277           278           279 
      1   0.718503D+00  0.275497D+01  0.149063D+01 -0.159338D+01
      2   0.219915D+01  0.149063D+01  0.249053D+01 -0.288060D+01
      3  -0.268300D+01 -0.159338D+01 -0.288060D+01  0.473284D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.250294D+01  0.306614D+01 -0.512510D+00  0.531805D+01 -0.327336D+01
      2   0.679632D+01 -0.259990D+00 -0.972335D+00  0.105233D+02 -0.132244D+01
      3   0.354173D+02  0.282730D+02 -0.194069D+01  0.516434D+02 -0.179358D+02
                 6             7             8             9            10 
      1  -0.650065D+00 -0.414260D+01  0.667387D+01  0.284030D+00 -0.968944D+00
      2   0.117011D+01 -0.191732D+02  0.217899D+01  0.164024D+01 -0.117401D+02
      3  -0.381263D+01 -0.721010D+00 -0.336300D+01  0.213369D+01 -0.168860D+02
                11            12            13            14            15 
      1   0.435389D+01  0.430789D+00  0.239146D+01 -0.779609D+00  0.836129D+00
      2   0.609086D+00 -0.521511D+01 -0.112414D+02  0.153940D+01  0.421857D-01
      3   0.348011D+02  0.137036D+01  0.396002D+02 -0.226368D+02 -0.344516D+01
                16            17            18            19            20 
      1  -0.330008D+01  0.788591D+01  0.616967D+00 -0.375091D+01 -0.714701D+00
      2  -0.204205D+02  0.159512D+01  0.179405D+01 -0.130379D+02  0.230438D+01
      3   0.254683D+01 -0.387181D+01 -0.179747D+01 -0.453530D+02 -0.200571D+02
                21            22            23            24            25 
      1   0.919960D+00 -0.482726D+00 -0.129006D+01 -0.313281D+01 -0.583673D+01
      2  -0.442264D-01  0.615752D+01 -0.114661D+01  0.213895D+01 -0.170643D+02
      3   0.267966D+01  0.160649D+02 -0.272335D+01 -0.436491D+00  0.300908D+01
                26            27            28            29            30 
      1   0.172698D+00 -0.149471D+01 -0.178166D+00  0.102374D+01 -0.311363D+00
      2   0.730540D+01  0.136193D+01  0.152519D+02 -0.143649D+01  0.136951D+01
      3   0.198204D+01 -0.361185D+01  0.188637D+02  0.443584D+01 -0.825557D+00
                31            32            33            34            35 
      1   0.458237D+01  0.257326D+01  0.239044D+01 -0.246879D+01  0.136643D+02
      2  -0.362887D+00  0.330326D+00 -0.155180D+01 -0.135929D+02  0.135226D+01
      3   0.208356D+02  0.143748D+01  0.406493D+00  0.166807D+01 -0.143066D+01
                36            37            38            39            40 
      1   0.979797D+00 -0.346223D+00 -0.216051D+01  0.459372D+01 -0.112846D+01
      2   0.183410D+01  0.956652D+00 -0.253810D+00  0.203721D+01 -0.388519D+01
      3   0.405945D+01 -0.229051D+02 -0.260726D+01  0.356716D+00 -0.542070D+01
                41            42            43            44            45 
      1  -0.208771D+01 -0.812342D+00  0.144259D+02  0.639942D+01 -0.919206D+00
      2   0.712955D+00 -0.139993D+01 -0.106202D+02 -0.620325D+01  0.118630D+01
      3  -0.708104D+01 -0.117104D+01 -0.560444D+00 -0.144714D+01 -0.461919D+01
                46            47            48            49            50 
      1   0.175051D+01 -0.806149D+00 -0.448554D+01 -0.126440D+01  0.201718D+01
      2  -0.364244D+01  0.827363D-01  0.104217D+01 -0.568806D-01  0.249943D+00
      3   0.412823D+02 -0.282252D+02 -0.233233D+01 -0.979985D+01  0.215618D+02
                51            52            53            54            55 
      1  -0.309007D+01 -0.818410D+01 -0.219676D+01  0.231127D+01  0.172620D+01
      2  -0.823402D+00 -0.175001D+02 -0.507561D+00  0.800883D+00 -0.305962D+00
      3   0.147794D+01 -0.343794D+01  0.279277D+01  0.593832D+01  0.269570D+02
                56            57            58            59            60 
      1  -0.339202D+01 -0.628007D+01  0.146002D+00  0.198502D+01 -0.364100D+01
      2  -0.126587D+01 -0.582119D+01  0.381195D+00 -0.454146D+00 -0.408297D+01
      3  -0.135973D+02 -0.689880D+00  0.344362D+00  0.216279D+02  0.214455D+00
                61            62            63            64            65 
      1  -0.740866D+01 -0.349295D+01  0.132072D+01 -0.535407D+00  0.574477D-01
      2  -0.222042D+02 -0.638459D+01  0.197129D+01  0.418800D-01  0.430468D+00
      3  -0.100344D+01  0.150440D+01  0.128174D+02  0.310408D-01  0.539701D+00
                66            67            68            69            70 
      1  -0.110265D+01 -0.513915D+00 -0.163494D+01 -0.395544D+01  0.162392D-01
      2   0.412761D+00  0.624458D+00  0.550884D+00  0.149559D+01 -0.193064D+01
      3   0.144824D+00  0.499241D+01 -0.484444D+01 -0.506467D-01  0.922002D-01
                71            72            73            74            75 
      1   0.208053D+01  0.243082D+00 -0.552507D+00 -0.610610D+00  0.249907D+01
      2  -0.815981D+00 -0.570689D-02  0.201385D+01 -0.893328D+00  0.163850D+01
      3  -0.244916D+00  0.609646D+00 -0.906980D+01 -0.269106D+00  0.746375D+00
                76            77            78            79            80 
      1  -0.972208D+00  0.135719D+01 -0.280541D+01 -0.187609D+01  0.150960D+01
      2  -0.119843D+01  0.111015D+01 -0.238072D+01 -0.268189D+01  0.996488D-01
      3   0.187573D+01  0.248096D+01 -0.138399D-01  0.168113D+01  0.163117D+00
                81            82            83            84            85 
      1   0.119652D+00  0.777673D+00  0.897560D+00 -0.116230D+01  0.389749D+00
      2   0.143603D-01 -0.298099D+00 -0.343140D+00  0.662133D+00 -0.226254D+00
      3   0.595142D+00  0.507303D+01  0.220359D+01 -0.280349D+00  0.544020D+01
                86            87            88            89            90 
      1   0.272024D+01 -0.445667D+01  0.116766D+01  0.208084D+01 -0.101247D+00
      2  -0.498220D+00  0.990940D+00 -0.747624D+00  0.961272D+00  0.521693D-01
      3   0.361423D+01  0.857631D-01 -0.496503D+00 -0.264004D+00 -0.119038D+01
                91            92            93            94            95 
      1  -0.241706D+01  0.759575D+00  0.947129D+00  0.222277D+01  0.193974D+01
      2  -0.107750D+02  0.837619D+00 -0.837238D+01 -0.829568D+00 -0.110373D+01
      3  -0.113355D+02 -0.338782D+01  0.200936D+00  0.107370D+02  0.218329D+02
                96            97            98            99           100 
      1  -0.272406D+01  0.282232D+01  0.330387D+01 -0.104536D+01  0.441349D+01
      2   0.359912D+01 -0.354123D+02  0.482103D+01 -0.280505D+01 -0.124736D+02
      3  -0.587668D+00  0.698460D+00  0.425623D+00 -0.889649D+01  0.145495D+02
               101           102           103           104           105 
      1  -0.235211D+01  0.637924D+00  0.126517D+00 -0.107533D+02 -0.640737D+01
      2  -0.433801D+01  0.213413D+02 -0.304267D+01  0.596583D+01 -0.108310D+02
      3  -0.561568D+01 -0.737059D+00 -0.719729D+00 -0.228864D+02 -0.562061D+01
               106           107           108           109           110 
      1  -0.126862D+01 -0.904471D+00  0.701095D+01  0.528764D+01 -0.193779D+01
      2   0.158720D+02 -0.892591D+01  0.697859D+01  0.150258D+02 -0.188348D+01
      3  -0.376284D+01 -0.443691D+01  0.107509D+02  0.860318D+00  0.128204D+02
               111           112           113           114           115 
      1  -0.793991D+01 -0.109657D+02  0.286991D+01 -0.139335D+02 -0.720707D+01
      2   0.464622D+01 -0.103907D+00  0.167914D+01  0.636347D+01  0.117855D+02
      3   0.207584D+01  0.176830D+02 -0.147854D+02  0.136251D+01  0.571291D+01
               116           117           118           119           120 
      1  -0.414338D+01 -0.269467D+01 -0.616991D+00 -0.630695D+00 -0.373790D+00
      2   0.135433D+01  0.110192D+01 -0.289055D+00  0.411810D+00  0.345789D+01
      3  -0.437267D+00  0.476290D+01 -0.727087D+01 -0.278096D+01  0.158975D+00
               121           122           123           124           125 
      1  -0.830952D+00 -0.351040D+01 -0.260295D+01 -0.243764D+00  0.393015D+00
      2   0.119165D+01  0.549344D+00  0.451666D+01  0.232126D+01  0.236471D+01
      3  -0.141541D+01 -0.232042D+02  0.772788D+00  0.803916D+00 -0.150827D-01
               126           127           128           129           130 
      1   0.827637D-01 -0.221393D+01 -0.330112D+01 -0.507944D-01 -0.279181D+01
      2  -0.415110D+00  0.119990D+02  0.180278D+01  0.685445D+01  0.162910D+01
      3  -0.192816D+01 -0.534668D+01 -0.801845D+01  0.701938D+00 -0.508939D+01
               131           132           133           134           135 
      1  -0.713013D-01 -0.116712D+00  0.636185D+00  0.894465D+00 -0.798369D+00
      2   0.406366D+00  0.267383D+01  0.176639D+01  0.904640D+00  0.437200D+00
      3  -0.433601D+00  0.180361D+01  0.439150D+00  0.165411D+01 -0.151911D+01
               136           137           138           139           140 
      1  -0.173221D+01  0.280523D+01 -0.924566D+00  0.103255D+01 -0.201897D+01
      2  -0.678051D+01  0.340951D+01 -0.129721D+02  0.250920D+01 -0.620254D+01
      3  -0.278401D+01  0.244061D+01 -0.196677D+01  0.200670D+01 -0.237414D+01
               141           142           143           144           145 
      1   0.193349D+01 -0.905571D-01  0.478923D+01 -0.335923D+01  0.233442D+01
      2   0.105701D+02 -0.634004D+01  0.668954D+01 -0.271917D+02 -0.149628D+00
      3   0.552484D+01  0.364620D-01  0.439749D+01 -0.613147D+01  0.431486D+01
               146           147           148           149           150 
      1   0.344272D+00 -0.403082D+00 -0.219312D+00  0.139748D+02  0.302403D+00
      2  -0.118747D+01 -0.166796D+01 -0.103144D+01 -0.555788D+01 -0.639183D+01
      3   0.507127D+00 -0.423077D+00  0.136992D+01  0.264331D+02  0.608471D+01
               151           152           153           154           155 
      1  -0.486207D+00  0.233876D+01  0.114276D+01 -0.439659D+01  0.267428D+01
      2  -0.119989D+01 -0.221836D+01 -0.293001D+01 -0.870918D+01  0.138037D+01
      3  -0.161567D+01  0.257935D+01  0.302872D+01  0.123939D+02 -0.219043D+02
               156           157           158           159           160 
      1   0.404676D+01  0.775063D+01 -0.379152D+01 -0.557571D+00  0.179377D+01
      2   0.207829D+02 -0.253142D+01 -0.194751D+01 -0.900192D+01  0.675737D+01
      3   0.141549D+00 -0.180757D+02  0.183633D+02 -0.155213D+01  0.272744D+00
               161           162           163           164           165 
      1   0.288843D+01 -0.705934D+00 -0.727682D+01  0.214747D+01  0.692059D+00
      2  -0.349049D+01 -0.273699D+01 -0.103591D+02  0.422666D+01  0.971735D+00
      3  -0.760091D+00  0.323572D+01  0.989429D+01 -0.423611D+01  0.481572D+00
               166           167           168           169           170 
      1   0.590533D+01 -0.208130D+00  0.449811D+01 -0.143951D+01  0.865134D+01
      2   0.588446D+01  0.510415D+01 -0.261594D+01 -0.664413D+01  0.989446D+00
      3  -0.240978D+01  0.225575D-01 -0.735951D+01 -0.950309D+00 -0.251241D+01
               171           172           173           174           175 
      1  -0.841852D+00  0.769642D+01 -0.241076D+01  0.180925D+01 -0.627960D+01
      2   0.260215D+02  0.209773D+02 -0.361608D+01 -0.623284D+01 -0.553291D+01
      3  -0.131776D+01 -0.876086D+01  0.245619D+01 -0.121760D+01  0.665446D+01
               176           177           178           179           180 
      1   0.611174D+00 -0.239507D+01  0.253371D+01 -0.764584D+00  0.119835D+01
      2   0.328655D+01  0.243885D+01 -0.171877D+01  0.476210D+00  0.276720D+01
      3  -0.108888D+01 -0.788480D+00 -0.462465D+01  0.489613D+00 -0.203251D+01
               181           182           183           184           185 
      1   0.322346D-01  0.165338D+01  0.667614D+01 -0.738480D+00 -0.111430D+01
      2  -0.130039D+01 -0.217463D+00  0.856801D+01  0.104780D+01  0.136922D+01
      3  -0.221282D+02 -0.116552D+02  0.982394D+00 -0.253830D+01 -0.266519D+02
               186           187           188           189           190 
      1  -0.131152D+01  0.165226D+02  0.635574D+01 -0.250473D+01 -0.161124D+01
      2  -0.310427D+01  0.264961D+01 -0.117160D+02 -0.241773D+01 -0.742417D+01
      3  -0.591727D+00  0.959050D-01 -0.476448D+00 -0.176958D+01 -0.234555D+02
               191           192           193           194           195 
      1   0.420879D+01  0.838610D+00  0.417267D+01 -0.126723D+01  0.423515D+01
      2  -0.341150D+00  0.351530D+01  0.243199D+01 -0.134551D+01 -0.792541D+00
      3   0.177043D+02  0.222200D+01  0.485868D+02  0.237316D+02 -0.341124D+01
               196           197           198           199           200 
      1  -0.244432D+01  0.138003D+02  0.560462D+00  0.162227D+00 -0.323964D+01
      2   0.289298D+01 -0.184441D+01 -0.194409D+01  0.856660D+01  0.136772D+00
      3   0.352121D+01 -0.224061D+01 -0.748407D-01  0.625633D+01 -0.225514D+02
               201           202           203           204           205 
      1  -0.167030D+00 -0.108741D+01  0.107261D+01 -0.363803D+01 -0.156888D+01
      2   0.230484D+01 -0.271236D+01 -0.367049D+00  0.653617D+01 -0.210130D+02
      3  -0.140238D+01 -0.152707D+02 -0.199409D+01  0.181634D+01 -0.204312D+01
               206           207           208           209           210 
      1   0.266236D+01  0.353028D+00  0.145769D+01 -0.367739D+01 -0.108673D+01
      2   0.131370D+02  0.199661D+01  0.120325D+01  0.563326D+00  0.897395D+01
      3   0.213803D+01 -0.707041D+01  0.205290D+02 -0.366892D+02 -0.218442D+01
               211           212           213           214           215 
      1  -0.165672D+00  0.148683D+00 -0.707378D+01  0.367120D+01  0.576013D-03
      2   0.113724D+01 -0.491073D+00  0.773088D+01 -0.460696D+01 -0.430155D+01
      3   0.219803D+01  0.478840D+01  0.463805D+00 -0.203978D+01  0.315027D+01
               216           217           218           219           220 
      1  -0.344260D+00 -0.191384D+01  0.562667D+00 -0.339923D+01  0.327436D+00
      2  -0.411362D+00  0.224906D+01 -0.227595D+01  0.120778D+02 -0.354945D+01
      3   0.158842D+01 -0.324998D+02 -0.139082D+02  0.547373D+01 -0.592195D+01
               221           222           223           224           225 
      1   0.101337D+01  0.100751D+02  0.929708D+01  0.112738D+02  0.172203D+01
      2   0.917731D+00 -0.329588D+02 -0.249910D+01 -0.227393D+02 -0.265778D+01
      3   0.142647D+02 -0.133549D+01  0.450162D+01 -0.622247D+00  0.297358D+02
               226           227           228           229           230 
      1   0.278653D+00  0.260311D+00 -0.132167D+01 -0.124168D+00 -0.243848D+00
      2   0.355625D-01  0.136840D+00  0.281765D+00 -0.123116D+00 -0.367774D+00
      3   0.703540D+01  0.635283D+01 -0.408342D+00  0.555349D+01  0.221436D+02
               231           232           233           234           235 
      1  -0.485482D+01  0.880607D+00  0.217279D+01 -0.154454D+00 -0.984228D+00
      2  -0.519461D+00  0.181716D+00  0.279401D+00 -0.122715D+00 -0.153960D+01
      3   0.337385D+00 -0.578045D+00 -0.224940D+00 -0.761065D+00 -0.340297D+00
               236           237           238           239           240 
      1   0.286944D+00  0.256445D+01  0.302094D+00 -0.106707D+00 -0.311731D+01
      2   0.988993D+00  0.374438D+01  0.102403D+01 -0.125634D+01 -0.395735D+01
      3  -0.653186D+01 -0.119954D+00 -0.639236D+01  0.123027D+02  0.888470D+00
               241           242           243           244           245 
      1  -0.267940D+01  0.106655D+01  0.594129D-01  0.358487D+00  0.351649D+00
      2  -0.323238D+01 -0.103060D+01 -0.728918D-01 -0.438939D+00 -0.603722D+00
      3   0.205247D+00  0.705533D+00  0.148074D+01 -0.105001D+01 -0.102545D+01
               246           247           248           249           250 
      1  -0.533726D+00  0.471534D+00  0.197481D+00 -0.311764D+01 -0.296861D+00
      2   0.267944D+00 -0.547596D+00 -0.314617D+00  0.176951D+01 -0.153148D+01
      3   0.165551D+00 -0.618008D-01 -0.160302D+02 -0.157803D+00  0.194529D+00
               251           252           253           254           255 
      1   0.162099D+01  0.703103D-01 -0.761362D+00  0.152800D+00  0.208723D+01
      2  -0.143374D+01  0.780718D-01  0.525641D+01  0.226520D+00 -0.443639D+01
      3  -0.465355D+00  0.818249D+00 -0.330326D+00  0.465184D+01  0.185872D+01
               256           257           258           259           260 
      1  -0.117454D+01 -0.277602D+01 -0.540578D+01 -0.345032D+01 -0.269192D+01
      2   0.496299D+01  0.982313D+01  0.133670D+02  0.568937D+01  0.144028D+02
      3  -0.436060D+01 -0.175734D+02 -0.112867D+02 -0.588399D+01 -0.156258D+02
               261           262           263           264           265 
      1  -0.949155D+01  0.103256D+01 -0.475230D+00 -0.164132D+01 -0.253235D+00
      2   0.257947D+02 -0.238236D+01 -0.118528D+00  0.922499D+01  0.262035D+00
      3  -0.178420D+02  0.108629D+02 -0.854251D+01 -0.930886D+00 -0.504223D+01
               266           267           268           269           270 
      1   0.207682D+00 -0.881338D+00 -0.187415D+01 -0.296926D+00  0.204638D+00
      2  -0.349120D+00  0.590487D+00  0.658352D+01  0.240940D+01 -0.158929D+01
      3   0.260846D+01  0.610927D+00 -0.972039D+00  0.924096D+00 -0.193581D+01
               271           272           273           274           275 
      1   0.445265D+00  0.102582D+00  0.295320D+01  0.389032D+00  0.117581D+01
      2  -0.526320D+01  0.254994D+01 -0.741567D+01 -0.279149D+01 -0.108706D+02
      3  -0.212383D+00  0.764316D+01 -0.536667D+01 -0.268908D+01 -0.195596D+02
               276           277           278           279 
      1  -0.461512D+01 -0.209325D+01 -0.141512D+01  0.724021D+01
      2   0.144181D+02  0.325513D+01  0.148802D+02 -0.239942D+02
      3   0.132347D+02  0.321031D+01  0.155323D+02 -0.190571D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.679223D+02  0.251108D+02  0.416782D+01 -0.878376D+02 -0.766592D+00
      2   0.316067D+02 -0.166052D+02 -0.260255D+01  0.347517D+02  0.132454D+02
      3   0.363156D+02 -0.850565D+01 -0.156527D+01  0.530859D+02 -0.124788D+02
      4  -0.506672D+01  0.190314D+02  0.113934D+01  0.128756D+02 -0.242177D+02
      5   0.408314D+00 -0.125253D+01 -0.302561D+01 -0.395013D+01  0.170590D+01
      6   0.579573D+00 -0.143012D+01  0.126123D+01  0.220102D+01 -0.144050D+01
                 6             7             8             9            10 
      1   0.705854D+01  0.433900D+01 -0.164760D+01 -0.101155D+02  0.680945D+02
      2  -0.244129D+01 -0.244671D+01  0.198190D+01 -0.505370D+00 -0.165683D+02
      3  -0.461726D+01 -0.189229D+01 -0.334304D+00  0.106209D+02 -0.515262D+02
      4  -0.153895D+01  0.257907D+00 -0.159478D+01 -0.192056D+01  0.351069D+02
      5   0.403540D+01  0.103796D+01 -0.917876D+00  0.168426D+01  0.184546D+00
      6  -0.397849D+00  0.318818D+01  0.509374D+01 -0.928691D+00 -0.327038D+01
                11            12            13            14            15 
      1   0.202586D+02 -0.639921D+01  0.960910D+02 -0.227193D+02 -0.762237D+01
      2  -0.160696D+02  0.745453D+00 -0.366483D+02  0.147469D+02  0.340669D+01
      3  -0.418898D+01  0.565376D+01 -0.594427D+02  0.797238D+01  0.421568D+01
      4   0.136493D+02 -0.145906D+01 -0.288584D+02  0.188042D+02  0.204593D+01
      5  -0.133732D+01 -0.123033D+02  0.275852D+01 -0.697375D+00 -0.180041D+01
      6   0.320831D+00  0.185511D-01 -0.631160D+00  0.200216D+01 -0.229739D+01
                16            17            18            19            20 
      1  -0.396385D+01 -0.166034D+01 -0.603336D+01  0.433574D+02 -0.314633D+02
      2  -0.132533D+00  0.113246D+01 -0.270487D+01 -0.135822D+02  0.187026D+02
      3   0.409639D+01  0.527879D+00  0.873823D+01 -0.297752D+02  0.127607D+02
      4  -0.287646D+01 -0.458089D+00  0.482274D+01 -0.625842D+01 -0.250780D+02
      5   0.199218D+01  0.309315D+01  0.262139D+01  0.206476D+01  0.163345D+01
      6   0.250053D+01  0.399205D+01 -0.221335D+00 -0.978072D+00  0.529647D+01
                21            22            23            24            25 
      1  -0.707210D+01  0.135365D+02  0.176711D+02  0.287119D+01 -0.420749D+01
      2   0.326254D+01 -0.250428D+02 -0.232795D+02  0.669992D-01  0.426964D+00
      3   0.380956D+01  0.115063D+02  0.560849D+01 -0.293818D+01  0.378053D+01
      4   0.314413D+00  0.102449D+02 -0.465402D+00 -0.323983D+00  0.230016D+01
      5  -0.281965D+01 -0.193035D+01  0.110823D+00  0.779168D+01  0.105991D+02
      6  -0.391405D+00  0.538706D+00 -0.237443D+01  0.658664D+01  0.294187D+01
                26            27            28            29            30 
      1   0.784183D+01 -0.121746D+02  0.138328D+02 -0.609062D+01  0.386817D+01
      2  -0.284501D+01  0.574753D+00 -0.326060D+02  0.536788D+01 -0.674432D+00
      3  -0.499683D+01  0.115998D+02  0.187732D+02  0.722740D+00 -0.319374D+01
      4   0.196760D+01  0.686124D+01 -0.182459D+00  0.142836D+02  0.301028D+00
      5   0.878360D+01  0.239681D+01 -0.706144D+01  0.203662D+01  0.951179D+01
      6   0.136831D+02 -0.236641D+01  0.144726D+01 -0.241426D+01  0.252865D+01
                31            32            33            34            35 
      1   0.402489D+02 -0.474522D+02 -0.174170D+01  0.740877D+01 -0.238442D+01
      2  -0.290012D+02  0.417572D+02  0.192148D+01 -0.270527D+01  0.132200D+01
      3  -0.112477D+02  0.569503D+01 -0.179781D+00 -0.470350D+01  0.106243D+01
      4  -0.318493D+02 -0.176726D+02  0.635329D+00 -0.250734D+01 -0.676502D+00
      5  -0.175019D+01  0.196037D+01 -0.272582D+01  0.336804D+02 -0.420450D+01
      6   0.149130D+01  0.546382D+01 -0.433608D+01  0.429505D+01  0.310055D+01
                36            37            38            39            40 
      1   0.112784D+01 -0.223353D+02  0.555462D+02  0.474960D+01 -0.403288D+02
      2  -0.127856D+02  0.129960D+02 -0.385185D+02 -0.112926D+01  0.409523D+02
      3   0.116577D+02  0.933925D+01 -0.170277D+02 -0.362033D+01 -0.623543D+00
      4  -0.546254D+00  0.257354D+02  0.646625D+01 -0.276825D+01  0.185450D+02
      5  -0.477633D+00  0.295113D+00 -0.484403D+01  0.446709D+01  0.305090D+01
      6  -0.751569D+00 -0.389572D+01 -0.463096D+01 -0.959969D+01 -0.166740D+01
                41            42            43            44            45 
      1   0.271508D+02  0.117695D+01  0.338765D+01 -0.629827D+01 -0.119535D+02
      2  -0.257433D+02 -0.274169D+01  0.255650D+01  0.159926D+01 -0.952531D+00
      3  -0.140751D+01  0.156474D+01 -0.594415D+01  0.469901D+01  0.129060D+02
      4   0.246142D+02  0.665445D-01 -0.380402D+01  0.131118D+01 -0.673689D+01
      5  -0.144287D+01 -0.726933D+01  0.142750D+02 -0.679848D+01 -0.237821D+01
      6  -0.400632D+01  0.222554D+01 -0.174281D+02  0.906932D+01  0.468978D+01
                46            47            48            49            50 
      1   0.313382D+02 -0.460831D+02 -0.684035D+01  0.868046D+01  0.758770D+01
      2  -0.234558D+02  0.311628D+02  0.231000D+01 -0.733411D+01 -0.168333D+02
      3  -0.788239D+01  0.149204D+02  0.453034D+01 -0.134635D+01  0.924560D+01
      4  -0.316361D+02 -0.149848D+02  0.214562D+01  0.187264D+02 -0.821054D+01
      5   0.312960D+01  0.246301D+01  0.708024D+00  0.338075D+00 -0.554394D+00
      6   0.257353D+01  0.658233D+01  0.767045D+01 -0.141377D+01 -0.236538D+00
                51            52            53            54            55 
      1  -0.492471D+00 -0.457274D+01  0.290346D+01 -0.204851D+02 -0.213526D+02
      2  -0.979425D+00  0.258291D+01 -0.504150D+01  0.818829D+01  0.366677D+01
      3   0.147190D+01  0.198983D+01  0.213804D+01  0.122969D+02  0.176858D+02
      4  -0.107815D+01  0.338555D+01  0.304952D+01  0.156935D+01  0.208223D+02
      5   0.159728D-01  0.396943D+01 -0.112126D-01  0.234337D+01 -0.370296D+01
      6   0.799568D+01  0.367667D+01  0.202714D+02  0.161870D+01  0.127785D+01
                56            57            58            59            60 
      1  -0.371883D+02 -0.229773D+01  0.401166D+00  0.154618D+02  0.525767D+00
      2   0.335250D+02  0.140566D+01 -0.354470D+01 -0.205873D+02 -0.440312D+00
      3   0.366329D+01  0.892068D+00  0.314354D+01  0.512557D+01 -0.854556D-01
      4  -0.610550D+02 -0.258989D+01  0.150355D+02 -0.944333D+01  0.139905D-01
      5   0.171252D+01 -0.103599D+02  0.743816D+00 -0.117523D+00 -0.624714D+01
      6   0.309536D+01  0.116313D+02 -0.440473D+00 -0.745110D+00  0.947236D+01
                61            62            63            64            65 
      1  -0.555508D+00  0.304659D+01 -0.278002D+02 -0.128481D+01 -0.365903D+01
      2   0.995245D+00 -0.360160D+01  0.143396D+02  0.537638D+01  0.611857D+01
      3  -0.439736D+00  0.555013D+00  0.134606D+02 -0.409157D+01 -0.245954D+01
      4  -0.191801D+01  0.765900D+01 -0.111079D+02  0.809333D+01  0.115388D+02
      5  -0.185803D+01 -0.158998D+02  0.345677D+01 -0.653189D+00 -0.674841D+00
      6   0.375433D+01  0.246178D+02 -0.187169D+01 -0.116341D+01 -0.144151D+01
                66            67            68            69            70 
      1   0.216781D+00 -0.798720D+01 -0.298076D+02  0.114652D+01 -0.784435D+00
      2  -0.114576D+00  0.123655D+02  0.395308D+02 -0.769881D+00  0.448920D+00
      3  -0.102206D+00 -0.437828D+01 -0.972314D+01 -0.376643D+00  0.335515D+00
      4  -0.427391D+00  0.129272D+02  0.218043D+02 -0.490178D+00 -0.336275D+00
      5   0.149157D+01 -0.592260D+00  0.260749D+00  0.233561D+01 -0.280860D-02
      6   0.138886D+01 -0.169667D+01 -0.470469D+01  0.600083D+01  0.145478D+01
                71            72            73            74            75 
      1  -0.161181D+00 -0.256067D+01  0.707911D+01  0.193128D+01  0.213801D-01
      2   0.117254D-02  0.297742D+01  0.100088D+01 -0.798135D+01  0.760384D-01
      3   0.160009D+00 -0.416742D+00 -0.807999D+01  0.605008D+01 -0.974184D-01
      4  -0.500818D+00  0.682816D+00 -0.207638D+02  0.174937D+02  0.153784D+01
      5   0.300989D-01 -0.275886D+00 -0.470605D+01  0.188086D+01  0.415863D+01
      6   0.216870D+01 -0.288597D+00  0.267530D+01 -0.251187D+01 -0.232011D+01
                76            77            78            79            80 
      1   0.469300D+01 -0.122147D+02 -0.139371D+01 -0.115200D+01 -0.531220D+00
      2  -0.128439D+02  0.215105D+02  0.110868D+01  0.769668D-02  0.850594D+00
      3   0.815095D+01 -0.929586D+01  0.285037D+00  0.114430D+01 -0.319373D+00
      4   0.232870D+02 -0.250044D+02 -0.209171D+01  0.156450D+01 -0.137998D+01
      5   0.301110D+01 -0.245117D+01 -0.370134D+01  0.585506D-01 -0.119553D+01
      6  -0.378223D+01  0.460386D+01  0.489702D+01  0.106061D+01  0.200803D+01
                81            82            83            84            85 
      1   0.121505D+00 -0.369241D+01 -0.753491D+01  0.338274D+00 -0.576261D+01
      2   0.783479D+00  0.627088D+01  0.110291D+02 -0.249322D+00  0.741015D+01
      3  -0.904984D+00 -0.257847D+01 -0.349419D+01 -0.889516D-01 -0.164753D+01
      4  -0.204978D+01  0.451750D+01  0.119064D+02  0.223137D+00  0.767593D+01
      5  -0.221242D+00  0.809223D+00  0.120443D+01  0.184615D+01  0.760395D+00
      6   0.340685D+00  0.603691D+00  0.321572D+00  0.149325D+01  0.802440D+00
                86            87            88            89            90 
      1  -0.452516D+02 -0.891453D+00  0.713032D+00  0.114526D+00 -0.135951D+01
      2   0.599945D+02  0.521815D+00 -0.534107D+00 -0.593238D-01  0.171758D+01
      3  -0.147429D+02  0.369638D+00 -0.178924D+00 -0.552026D-01 -0.358071D+00
      4   0.144532D+02  0.340081D+00 -0.186845D+00 -0.715279D+00  0.194723D+01
      5   0.284064D+01  0.112190D+01  0.904461D+00  0.160145D+01 -0.461557D-01
      6   0.450141D+01  0.703607D+01 -0.176045D+00  0.243988D+01 -0.223980D-01
                91            92            93            94            95 
      1  -0.100573D+02  0.708016D+01 -0.102701D+02  0.996783D+01  0.910973D+01
      2   0.187030D+02 -0.782626D+01 -0.144388D+01 -0.133192D+02 -0.170816D+02
      3  -0.864567D+01  0.746102D+00  0.117140D+02  0.335138D+01  0.797188D+01
      4   0.842593D+01 -0.273225D+01 -0.103850D+01 -0.443079D+01 -0.404093D+02
      5   0.694172D+00 -0.248229D+01 -0.251528D+02 -0.131875D+02 -0.553479D+00
      6  -0.234183D+01  0.252618D+01  0.759394D+00 -0.166069D+00  0.539223D+01
                96            97            98            99           100 
      1  -0.583920D+01 -0.310622D+01 -0.613800D+00 -0.262863D+02 -0.671959D+02
      2   0.881693D+01 -0.621207D+01  0.618389D+00  0.216501D+02  0.357718D+02
      3  -0.297774D+01  0.931829D+01 -0.458894D-02  0.463625D+01  0.314242D+02
      4  -0.773419D+00 -0.315972D+01 -0.975642D+00  0.852668D+01 -0.241491D+02
      5   0.835795D+01 -0.613393D+02  0.995053D+01  0.686409D+01  0.326339D+02
      6   0.171150D+01  0.177032D+01  0.523515D+00 -0.346491D+01  0.110869D+02
               101           102           103           104           105 
      1  -0.183084D+02  0.297221D+02 -0.290575D+02  0.111939D+02 -0.589474D+01
      2   0.741717D+01 -0.145453D+01  0.206061D+02 -0.743809D+01 -0.101301D+02
      3   0.108912D+02 -0.282676D+02  0.845143D+01 -0.375580D+01  0.160248D+02
      4   0.565252D+01  0.271137D+00  0.294103D+01  0.375382D+02  0.976795D+01
      5   0.459364D+01  0.197847D+02  0.149009D+02  0.627269D+01 -0.172875D+02
      6  -0.356794D+01  0.193940D+01 -0.183179D+01 -0.180880D+02 -0.603864D+01
               106           107           108           109           110 
      1   0.214802D+01 -0.724631D+01  0.344024D+02 -0.929803D+02  0.190337D+02
      2   0.169634D+02 -0.527729D+01 -0.157231D+02  0.391621D+02 -0.235623D+01
      3  -0.191114D+02  0.125236D+02 -0.186793D+02  0.538182D+02 -0.166775D+02
      4   0.214863D+01  0.651240D+01 -0.156570D+02  0.314574D+02 -0.206876D+02
      5   0.428130D+02 -0.143963D+02 -0.190735D+02 -0.135986D+02  0.699797D+01
      6  -0.203716D+01 -0.345717D+01  0.138243D+02  0.595428D+01 -0.156974D+01
               111           112           113           114           115 
      1  -0.620654D+01  0.307025D+02 -0.134724D+02  0.287792D+01  0.256665D+02
      2   0.248202D+01 -0.774535D+01  0.948415D+01 -0.193213D+01 -0.175168D+02
      3   0.372453D+01 -0.229571D+02  0.398822D+01 -0.945790D+00 -0.814969D+01
      4   0.426265D+01 -0.456035D+01  0.213512D+02  0.100270D+01 -0.100825D+01
      5  -0.115941D+01  0.118435D+02 -0.875376D+00  0.162166D+01  0.271436D+02
      6   0.321591D+01 -0.182527D+01  0.331033D+01  0.120781D+01 -0.360627D+01
               116           117           118           119           120 
      1   0.112555D+01  0.265142D+02 -0.386217D+01  0.650268D+01  0.160567D+01
      2   0.779330D+00 -0.601132D+01  0.726952D+01 -0.155181D+01 -0.706392D+00
      3  -0.190488D+01 -0.205028D+02 -0.340735D+01 -0.495087D+01 -0.899276D+00
      4   0.399682D+01 -0.582326D+01  0.117358D+02  0.105821D+02 -0.823747D+00
      5  -0.590657D+01  0.677064D+01  0.610376D+00 -0.123372D+01  0.762135D+01
      6  -0.327000D+01 -0.284696D+01 -0.125837D+01 -0.101402D+01  0.234539D+00
               121           122           123           124           125 
      1   0.107258D+02 -0.125285D+02  0.271072D+01  0.273073D+01 -0.309732D+00
      2  -0.492211D+00  0.266926D+02 -0.146911D+01 -0.149130D+01  0.172424D+01
      3  -0.102336D+02 -0.141640D+02 -0.124161D+01 -0.123943D+01 -0.141451D+01
      4   0.183148D+02  0.482404D+02 -0.197661D+01 -0.704925D-01  0.246249D-01
      5  -0.604426D+00 -0.185336D+01  0.102406D+02  0.968606D+01  0.515072D+01
      6  -0.157387D+01 -0.620773D+01  0.465172D+01  0.151763D+01  0.552590D+01
               126           127           128           129           130 
      1   0.106411D+01  0.109847D+03  0.113239D+02 -0.196361D+02  0.200712D+02
      2  -0.413872D+00 -0.650755D+02 -0.540787D+01  0.172263D+02 -0.109800D+02
      3  -0.650234D+00 -0.447719D+02 -0.591606D+01  0.240982D+01 -0.909121D+01
      4   0.558189D+01  0.173519D+02  0.145628D+02 -0.318039D+01  0.178973D+02
      5  -0.199771D+01 -0.600467D+02 -0.514059D+01  0.282566D+02 -0.127199D+02
      6  -0.539675D+00 -0.728494D+01 -0.560968D+01  0.152012D+01 -0.620263D+01
               131           132           133           134           135 
      1   0.929448D+01 -0.229929D+01 -0.754918D+01  0.604217D+00  0.626578D+01
      2  -0.379485D+01  0.401119D+01  0.741871D+01  0.124632D+01 -0.664328D+01
      3  -0.549963D+01 -0.171190D+01  0.130475D+00 -0.185054D+01  0.377506D+00
      4   0.349701D+01 -0.493866D+01 -0.835892D+00 -0.207269D+01  0.365792D+01
      5  -0.660321D+01  0.797061D+01  0.154843D+02  0.339778D+01 -0.665903D+01
      6  -0.762153D+00  0.333163D+01  0.144991D+01  0.166282D+01 -0.195385D+01
               136           137           138           139           140 
      1  -0.485571D+01  0.710666D+01 -0.212239D+02  0.814834D+01 -0.980377D+01
      2  -0.978796D+00 -0.157287D+01 -0.169951D+01 -0.490330D+01  0.200864D+01
      3   0.583451D+01 -0.553379D+01  0.229234D+02 -0.324504D+01  0.779513D+01
      4   0.358335D+01 -0.403723D+01  0.301224D+01  0.129661D+01  0.427627D+01
      5  -0.117639D+01  0.310048D+00 -0.113738D+02 -0.569018D+01 -0.751809D+01
      6  -0.317936D+01  0.466116D+01 -0.439467D+01  0.210450D+00 -0.591413D+01
               141           142           143           144           145 
      1   0.122603D+02 -0.953905D+01  0.819862D+01 -0.364619D+02  0.660126D+01
      2   0.356552D+01  0.307413D+01  0.207130D+01 -0.123514D+02 -0.177629D+01
      3  -0.158258D+02  0.646492D+01 -0.102699D+02  0.488133D+02 -0.482496D+01
      4  -0.102776D+02 -0.526501D+00 -0.881660D+01  0.115432D+02 -0.481887D+01
      5   0.159841D+02  0.505819D+01  0.865218D+01 -0.362690D+02 -0.393829D+01
      6   0.113261D+02 -0.888819D-01  0.920282D+01 -0.119559D+02  0.234382D+01
               146           147           148           149           150 
      1  -0.504401D+01 -0.504681D+01 -0.117030D+02 -0.991652D+01 -0.297294D+01
      2   0.277423D+01  0.580897D+00  0.720694D+01  0.132809D+02 -0.238588D+01
      3   0.226978D+01  0.446592D+01  0.449608D+01 -0.336433D+01  0.535882D+01
      4   0.301941D+01  0.750312D+00  0.106496D+02 -0.469140D+02 -0.127993D+02
      5   0.223808D+01 -0.119369D+01  0.122709D+02 -0.118190D+02 -0.154554D+02
      6   0.161945D-01 -0.401243D-01 -0.398294D+01  0.258866D+02  0.108180D+02
               151           152           153           154           155 
      1  -0.826016D+00 -0.194943D+01 -0.660257D+01  0.191255D+03 -0.303416D+02
      2  -0.328416D+00 -0.423288D+00  0.101513D+01 -0.896482D+02  0.941534D+01
      3   0.115443D+01  0.237272D+01  0.558745D+01 -0.101607D+03  0.209262D+02
      4   0.180200D+01 -0.568714D+01 -0.523734D+01 -0.420690D+02  0.385390D+02
      5   0.695684D+00 -0.525241D+01 -0.364209D+01  0.328196D+02 -0.651524D+01
      6  -0.135325D+01  0.746416D+01  0.340072D+01 -0.524908D+01  0.465493D+01
               156           157           158           159           160 
      1   0.666207D+01 -0.411881D+02  0.346639D+02 -0.896890D+00  0.634577D+01
      2  -0.809224D+01  0.136378D+02 -0.934380D+01  0.176377D+01 -0.735671D+01
      3   0.143017D+01  0.275502D+02 -0.253201D+02 -0.866877D+00  0.101094D+01
      4  -0.298750D+01  0.530040D+02 -0.379450D+02  0.273187D+01 -0.300278D+01
      5   0.350472D+02 -0.928618D+01  0.754775D+01 -0.116597D+02  0.339686D+02
      6  -0.195735D+01  0.909667D+01 -0.650733D+01  0.542578D+01 -0.412821D+01
               161           162           163           164           165 
      1  -0.966794D+00  0.196323D+02  0.492247D+02 -0.899257D+01  0.159159D+02
      2   0.128590D+01 -0.132118D+02 -0.353232D+02  0.365567D+01 -0.105665D+02
      3  -0.319111D+00 -0.642049D+01 -0.139015D+02  0.533691D+01 -0.534945D+01
      4   0.168229D+00 -0.781369D+01 -0.904005D+01  0.808457D+01  0.120023D+01
      5  -0.869622D+01  0.377399D+01  0.343217D+02 -0.103763D+01  0.187111D+02
      6   0.475966D+01 -0.179954D+01 -0.353806D+01  0.163275D+01  0.682499D+00
               166           167           168           169           170 
      1  -0.167223D+02 -0.566766D+01 -0.563851D-01 -0.257019D+01  0.498089D+00
      2   0.910310D+01  0.955474D+00  0.844738D+00 -0.286654D+01 -0.849577D+00
      3   0.761916D+01  0.471218D+01 -0.788353D+00  0.543673D+01  0.351488D+00
      4   0.649204D+01  0.131575D+01  0.111991D+02  0.412882D+01  0.529824D+01
      5  -0.745041D+01  0.113785D+02 -0.262073D+01  0.162955D+02  0.376188D+01
      6   0.166600D+01  0.566539D+00  0.113457D+02  0.302763D+01  0.107885D+02
               171           172           173           174           175 
      1  -0.326797D+02 -0.492609D+02  0.773971D+01  0.536616D+01  0.144495D+02
      2  -0.142700D+02  0.319283D+02 -0.385700D+01  0.630042D+01 -0.954269D+01
      3   0.469497D+02  0.173325D+02 -0.388272D+01 -0.116666D+02 -0.490685D+01
      4   0.616214D+01  0.703557D+01 -0.496110D+01 -0.108311D+01 -0.111196D+01
      5   0.465377D+02 -0.277526D+02  0.152600D+01 -0.166769D+02  0.689403D+01
      6   0.396270D+01  0.296075D+01 -0.388265D+01 -0.179854D+01 -0.109729D+01
               176           177           178           179           180 
      1  -0.687682D+01 -0.183439D+01 -0.111200D+02  0.319384D+00 -0.107739D+02
      2   0.411955D+01 -0.117682D+01  0.148236D+02 -0.732587D+00  0.639618D+01
      3   0.275727D+01  0.301121D+01 -0.370359D+01  0.413203D+00  0.437776D+01
      4   0.251921D+01  0.331959D+01  0.229417D+01 -0.181308D+00  0.124884D+01
      5   0.187386D+01  0.516203D+01 -0.147615D+02  0.107363D+01 -0.468638D+01
      6   0.262054D+01  0.366286D+01 -0.140903D+01  0.130895D+01  0.790747D+00
               181           182           183           184           185 
      1   0.303069D+02  0.552030D+02  0.891405D+00 -0.417843D+02  0.195693D+02
      2  -0.151571D+02 -0.450719D+02 -0.290476D+00  0.332594D+02 -0.244465D+02
      3  -0.151498D+02 -0.101312D+02 -0.600928D+00  0.852491D+01  0.487716D+01
      4   0.284971D+01  0.434839D+02 -0.321602D+01  0.722199D+00  0.388760D+02
      5   0.613741D+01 -0.629613D+01  0.161006D+02  0.468091D+00  0.137878D+01
      6  -0.432002D+01  0.205711D+01 -0.128359D+02  0.123323D+01 -0.169616D+01
               186           187           188           189           190 
      1   0.207453D+01  0.141568D+01 -0.676149D+01  0.516061D+01  0.120610D+03
      2  -0.233011D+01  0.109623D+01  0.367190D+01 -0.853720D+01 -0.606217D+02
      3   0.255578D+00 -0.251191D+01  0.308959D+01  0.337659D+01 -0.599883D+02
      4   0.164100D+01 -0.519346D+01 -0.611600D+00 -0.249065D+02  0.102122D+02
      5  -0.904630D+01  0.370877D+02 -0.199068D+02 -0.384746D+01  0.326136D+01
      6   0.312425D+01 -0.246251D+02  0.145550D+02  0.401616D+01 -0.186206D+01
               191           192           193           194           195 
      1  -0.166542D+01 -0.640400D+01 -0.332101D+02 -0.423725D+02  0.853198D+00
      2  -0.109130D+02  0.138993D+01  0.344160D+01  0.468417D+02  0.147270D+01
      3   0.125784D+02  0.501407D+01  0.297685D+02 -0.446923D+01 -0.232590D+01
      4   0.223681D+02 -0.503743D+00 -0.443225D+02 -0.666067D+02  0.159856D+01
      5   0.555212D+00  0.844552D+01 -0.167148D+01  0.508093D+00 -0.119825D+01
      6   0.111567D+01 -0.247475D+01  0.280861D+01  0.914308D+00 -0.822385D+01
               196           197           198           199           200 
      1  -0.215427D+01 -0.209451D+01  0.232447D+02 -0.105630D+03 -0.233993D+02
      2   0.136845D+01  0.240531D+01 -0.209961D+02  0.356868D+02  0.248836D+02
      3   0.785820D+00 -0.310801D+00 -0.224852D+01  0.699427D+02 -0.148431D+01
      4  -0.325011D+01 -0.282784D+01 -0.372465D+00 -0.347756D+02 -0.339843D+02
      5   0.503102D+02 -0.542377D+01 -0.426603D+01  0.184591D+01  0.344102D+01
      6  -0.121903D+01  0.459295D+01 -0.484674D+00  0.439904D+01  0.920655D+00
               201           202           203           204           205 
      1   0.636744D+01  0.788782D+02  0.152830D+02 -0.380650D+01  0.970472D+01
      2  -0.232150D+01 -0.473473D+02 -0.238108D+02  0.194095D+01 -0.444796D+01
      3  -0.404594D+01 -0.315309D+02  0.852779D+01  0.186555D+01 -0.525676D+01
      4   0.346169D+01  0.282969D+02  0.228831D+02 -0.169111D+01  0.541985D+01
      5   0.524367D+01 -0.119612D+01 -0.444667D+00  0.135528D+02  0.208721D+01
      6   0.273775D+00 -0.188407D+01 -0.732761D+00  0.877885D+01  0.218209D+01
               206           207           208           209           210 
      1   0.525647D+01 -0.164867D+02  0.306961D+02 -0.633103D+01  0.440911D+00
      2  -0.415705D+01 -0.224866D+01 -0.201539D+02  0.599177D+01  0.181236D+01
      3  -0.109942D+01  0.187354D+02 -0.105422D+02  0.339258D+00 -0.225327D+01
      4   0.339298D+01  0.177455D+02 -0.164707D+02  0.870230D+01  0.729370D+00
      5   0.221021D+02  0.357928D+01 -0.375011D+01 -0.994198D-02  0.179086D+02
      6   0.105870D+02 -0.803989D-01  0.101787D+01 -0.136293D+01  0.312633D+01
               211           212           213           214           215 
      1  -0.198251D+02  0.456959D+01  0.364611D+01 -0.945017D+00 -0.119223D+00
      2   0.116776D+02 -0.269080D+01 -0.173907D+01  0.180233D+01 -0.570513D+00
      3   0.814748D+01 -0.187878D+01 -0.190704D+01 -0.857318D+00  0.689737D+00
      4   0.265844D+02 -0.176320D+02 -0.149139D+01  0.113952D+01 -0.541811D+00
      5   0.290082D+01 -0.344187D+00  0.141672D+02  0.119339D+02 -0.424943D+01
      6  -0.309360D+00  0.268001D+00  0.124740D+02 -0.987513D+00  0.403195D+01
               216           217           218           219           220 
      1   0.525950D+01 -0.929453D+02 -0.237937D+01  0.127918D+02  0.185518D+02
      2  -0.279960D+01  0.522764D+02  0.455839D+01 -0.701803D+01 -0.589117D+01
      3  -0.245990D+01  0.406689D+02 -0.217902D+01 -0.577380D+01 -0.126606D+02
      4  -0.541466D+01  0.199439D+01  0.241243D+02 -0.258786D+01  0.160402D+01
      5  -0.287988D+01  0.115461D+02 -0.300183D+01  0.181464D+02 -0.668123D+01
      6   0.460088D+00  0.711777D+00 -0.241459D+01  0.763114D+01 -0.214974D+01
               221           222           223           224           225 
      1   0.191012D+02 -0.107793D+02  0.106317D+02 -0.594732D+01  0.247914D+02
      2  -0.907718D+01  0.353457D+01 -0.597642D+01  0.196092D+01 -0.190848D+02
      3  -0.100240D+02  0.724469D+01 -0.465528D+01  0.398640D+01 -0.570662D+01
      4   0.511678D+01 -0.124183D+00 -0.410638D+01 -0.193890D+01 -0.387139D+02
      5  -0.635088D-01 -0.632870D+02 -0.488794D+01 -0.417820D+02 -0.757266D+01
      6   0.115110D+01 -0.258098D+02 -0.789003D+01 -0.193304D+02  0.738222D-01
               226           227           228           229           230 
      1  -0.644565D+01 -0.151330D+02  0.526215D+00 -0.535255D+01 -0.555685D+02
      2   0.784471D+01  0.166414D+02 -0.310607D+00  0.534922D+01  0.733996D+02
      3  -0.139906D+01 -0.150832D+01 -0.215608D+00  0.332913D-02 -0.178311D+02
      4   0.542854D+00  0.469094D+01  0.248624D+00  0.342432D+01 -0.216274D+02
      5   0.382853D+00  0.674222D+00  0.109063D+01  0.125424D+00  0.200569D+01
      6  -0.301177D+00 -0.869568D+00  0.186872D+01  0.145817D+00 -0.947663D+00
               231           232           233           234           235 
      1  -0.577698D+00  0.753998D+00  0.131573D+00 -0.425435D+00  0.364660D+02
      2   0.687916D+00 -0.518982D+00  0.163398D+00  0.133049D+01 -0.717040D+01
      3  -0.110218D+00 -0.235016D+00 -0.294971D+00 -0.905058D+00 -0.292956D+02
      4   0.362461D-02 -0.184995D-01 -0.738918D+00  0.999756D+00 -0.517500D+02
      5  -0.197320D+01  0.227311D+01  0.595509D+00 -0.307317D+00 -0.360475D+01
      6   0.769604D+01 -0.815330D+00  0.259528D+01  0.108670D+00  0.278364D+01
               236           237           238           239           240 
      1  -0.186313D+02 -0.248805D+01 -0.175436D+02  0.902496D+01  0.823595D+00
      2  -0.189540D+01  0.653077D+00 -0.739392D+01  0.159028D+02  0.834095D+00
      3   0.205267D+02  0.183497D+01  0.249375D+02 -0.249278D+02 -0.165769D+01
      4   0.416641D+02  0.439653D+01  0.493720D+02 -0.540431D+02 -0.441857D+01
      5   0.227018D+01  0.687841D+01  0.230805D+01 -0.202184D+01 -0.630443D+01
      6  -0.212223D+01 -0.394834D+01 -0.232202D+01  0.279959D+01  0.552510D+01
               241           242           243           244           245 
      1  -0.349567D+01  0.148425D+01 -0.525119D+00  0.102360D+02  0.110827D+02
      2   0.558981D+00  0.452835D+00  0.123890D+01 -0.277040D+01 -0.374304D+01
      3   0.293668D+01 -0.193709D+01 -0.713777D+00 -0.746557D+01 -0.733969D+01
      4   0.524582D+01 -0.432883D+01 -0.301599D+01  0.167120D+02  0.133242D+02
      5  -0.896752D+00 -0.214412D+01 -0.804408D+00 -0.324283D+00 -0.522198D+00
      6   0.118257D+01  0.216391D+01  0.511694D+00 -0.124845D+00 -0.451350D+00
               246           247           248           249           250 
      1  -0.493686D+00  0.991771D+01 -0.670830D+01 -0.555187D+00 -0.420316D+00
      2   0.259289D+00  0.158340D+01  0.195686D+02  0.128188D-01  0.246763D+00
      3   0.234397D+00 -0.115011D+02 -0.128603D+02  0.542369D+00  0.173553D+00
      4  -0.102287D+01  0.241519D+02  0.401707D+02 -0.572355D+00 -0.685019D+00
      5   0.100443D+01  0.157401D+00  0.143987D+01  0.350875D+01  0.536627D+00
      6   0.238004D+00 -0.344673D-01  0.142472D+00  0.434075D+01  0.170258D+01
               251           252           253           254           255 
      1  -0.118131D+01 -0.105172D+01  0.325777D+01  0.325737D+01  0.834775D+01
      2   0.688600D+00  0.191390D+01 -0.182272D+01 -0.297826D+01 -0.391697D+01
      3   0.492713D+00 -0.862183D+00 -0.143504D+01 -0.279112D+00 -0.443078D+01
      4  -0.275748D-01 -0.352587D+00 -0.162350D+01 -0.362925D+01  0.175350D+01
      5  -0.124079D+01 -0.789647D-01  0.615766D+01  0.295756D+00 -0.688443D+01
      6   0.101626D+01  0.294265D-01  0.212846D+01 -0.600084D+00 -0.404792D+01
               256           257           258           259           260 
      1   0.590177D+01 -0.152627D+01 -0.481247D+00  0.259384D+02  0.499068D+01
      2  -0.310183D-01  0.851073D+01  0.500185D+01 -0.119601D+02  0.204676D+01
      3  -0.587076D+01 -0.698446D+01 -0.452060D+01 -0.139783D+02 -0.703744D+01
      4   0.190087D+02  0.276285D+02  0.191641D+02  0.250616D+02  0.267798D+02
      5   0.117207D+02  0.200786D+02  0.264948D+02  0.229844D+02  0.281719D+02
      6   0.511146D+01  0.981100D+01  0.126791D+02  0.946378D+01  0.138317D+02
               261           262           263           264           265 
      1  -0.577009D+01  0.199755D+03  0.138214D+02 -0.125159D+02 -0.119083D+02
      2   0.115056D+01 -0.103347D+03 -0.420756D+01  0.739148D+01  0.939878D+01
      3   0.461953D+01 -0.964082D+02 -0.961388D+01  0.512445D+01  0.250949D+01
      4   0.261899D+02  0.369818D+02  0.186297D+02 -0.229229D+01  0.163898D+02
      5   0.506371D+02 -0.149838D+02 -0.100349D+01  0.184416D+02  0.767696D+00
      6   0.182069D+02 -0.218826D+01 -0.821264D+00  0.304385D+01 -0.704209D+00
               266           267           268           269           270 
      1   0.144659D+02  0.112218D+01 -0.137600D+02 -0.451118D+00  0.138797D+02
      2  -0.701869D+01 -0.861858D+00  0.821557D+01  0.109365D+00 -0.790712D+01
      3  -0.744717D+01 -0.260320D+00  0.554439D+01  0.341752D+00 -0.597259D+01
      4  -0.732603D+00 -0.138137D+01 -0.259566D+01 -0.162948D+01  0.589144D+01
      5  -0.157867D+01  0.840335D+00  0.216367D+02  0.502755D+01 -0.416547D+01
      6  -0.123508D+00  0.183082D+01  0.302482D+01  0.288349D+01 -0.727253D+00
               271           272           273           274           275 
      1  -0.113271D+01  0.501024D+01 -0.125275D+02  0.536369D+01 -0.718977D+01
      2  -0.539694D-02 -0.456939D+01  0.540651D+01 -0.919126D+00  0.109872D+02
      3   0.113811D+01 -0.440849D+00  0.712100D+01 -0.444457D+01 -0.379740D+01
      4  -0.373123D+01 -0.710428D+01  0.235804D+01  0.164204D+02  0.286574D+02
      5  -0.507046D+01  0.364381D+01 -0.118676D+02 -0.830994D+01 -0.204237D+02
      6  -0.158812D+01  0.351356D+01 -0.671718D+01 -0.465714D+01 -0.128218D+02
               276           277           278           279 
      1   0.757121D+01 -0.217507D+02  0.239213D+01 -0.132826D+02
      2  -0.728164D+01  0.106187D+02 -0.397093D+01  0.250569D+01
      3  -0.289568D+00  0.111320D+02  0.157881D+01  0.107769D+02
      4  -0.206297D+02 -0.186668D+02 -0.244566D+02  0.262381D+02
      5   0.273750D+02  0.179886D+02  0.274563D+02 -0.440832D+02
      6   0.150064D+02  0.839319D+01  0.156628D+02 -0.196055D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 15:36:39 2021, MaxMem=  5368709120 cpu:          126292.0 elap:           15796.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31722 -19.31597 -19.25688 -10.43042 -10.37544
 Alpha  occ. eigenvalues --  -10.36045 -10.33060 -10.32600 -10.32504 -10.32086
 Alpha  occ. eigenvalues --  -10.31839 -10.31814 -10.31558 -10.31489 -10.31322
 Alpha  occ. eigenvalues --  -10.30891 -10.29456  -1.21022  -1.19010  -1.12783
 Alpha  occ. eigenvalues --   -0.99964  -0.95483  -0.90991  -0.89003  -0.85918
 Alpha  occ. eigenvalues --   -0.83875  -0.81059  -0.76243  -0.73849  -0.71619
 Alpha  occ. eigenvalues --   -0.71199  -0.69361  -0.63960  -0.63164  -0.62330
 Alpha  occ. eigenvalues --   -0.59352  -0.57387  -0.57268  -0.56734  -0.55215
 Alpha  occ. eigenvalues --   -0.54854  -0.53291  -0.52372  -0.51551  -0.51033
 Alpha  occ. eigenvalues --   -0.50481  -0.50108  -0.48503  -0.47752  -0.45935
 Alpha  occ. eigenvalues --   -0.45051  -0.44806  -0.44527  -0.43087  -0.42106
 Alpha  occ. eigenvalues --   -0.40782  -0.40168  -0.38397  -0.35850  -0.32091
 Alpha  occ. eigenvalues --   -0.29651
 Alpha virt. eigenvalues --    0.00675   0.02864   0.03287   0.03375   0.03921
 Alpha virt. eigenvalues --    0.04604   0.04843   0.05297   0.05967   0.06208
 Alpha virt. eigenvalues --    0.06424   0.06718   0.07305   0.08136   0.08299
 Alpha virt. eigenvalues --    0.08780   0.08939   0.10155   0.10352   0.10552
 Alpha virt. eigenvalues --    0.11127   0.11426   0.12177   0.12411   0.12848
 Alpha virt. eigenvalues --    0.13232   0.13754   0.13880   0.14093   0.14220
 Alpha virt. eigenvalues --    0.14409   0.14707   0.14852   0.15302   0.15496
 Alpha virt. eigenvalues --    0.15920   0.16257   0.16583   0.16998   0.17143
 Alpha virt. eigenvalues --    0.17440   0.17825   0.18390   0.18455   0.18566
 Alpha virt. eigenvalues --    0.18960   0.19438   0.19888   0.19983   0.20495
 Alpha virt. eigenvalues --    0.20990   0.21275   0.21898   0.22693   0.22907
 Alpha virt. eigenvalues --    0.23343   0.23953   0.24417   0.24527   0.25029
 Alpha virt. eigenvalues --    0.25161   0.26071   0.26417   0.26790   0.27240
 Alpha virt. eigenvalues --    0.27279   0.27511   0.27971   0.28137   0.28637
 Alpha virt. eigenvalues --    0.29171   0.29222   0.29462   0.29710   0.30243
 Alpha virt. eigenvalues --    0.30544   0.30682   0.31069   0.31296   0.31481
 Alpha virt. eigenvalues --    0.31921   0.32371   0.32661   0.33182   0.33271
 Alpha virt. eigenvalues --    0.33716   0.34180   0.34566   0.34858   0.35040
 Alpha virt. eigenvalues --    0.35383   0.35878   0.36108   0.36468   0.36899
 Alpha virt. eigenvalues --    0.37191   0.37549   0.37843   0.38194   0.38942
 Alpha virt. eigenvalues --    0.39032   0.39345   0.39696   0.39986   0.40449
 Alpha virt. eigenvalues --    0.41517   0.41743   0.42301   0.42737   0.42965
 Alpha virt. eigenvalues --    0.43254   0.43765   0.44264   0.44752   0.44998
 Alpha virt. eigenvalues --    0.45415   0.45810   0.46341   0.46652   0.47390
 Alpha virt. eigenvalues --    0.47932   0.48272   0.48740   0.48839   0.49371
 Alpha virt. eigenvalues --    0.49601   0.50079   0.51014   0.51472   0.52275
 Alpha virt. eigenvalues --    0.52544   0.53133   0.54026   0.54744   0.55004
 Alpha virt. eigenvalues --    0.55060   0.55665   0.56478   0.57303   0.57681
 Alpha virt. eigenvalues --    0.58207   0.58542   0.58910   0.59220   0.59751
 Alpha virt. eigenvalues --    0.60035   0.60223   0.60418   0.61454   0.61641
 Alpha virt. eigenvalues --    0.62082   0.62585   0.63232   0.63353   0.63909
 Alpha virt. eigenvalues --    0.64431   0.64818   0.65101   0.65478   0.65640
 Alpha virt. eigenvalues --    0.66431   0.66893   0.67300   0.67548   0.67931
 Alpha virt. eigenvalues --    0.68404   0.68719   0.69100   0.69628   0.69843
 Alpha virt. eigenvalues --    0.70361   0.70655   0.71303   0.71628   0.72035
 Alpha virt. eigenvalues --    0.72502   0.72747   0.73424   0.74024   0.74569
 Alpha virt. eigenvalues --    0.75032   0.75455   0.75613   0.76131   0.76821
 Alpha virt. eigenvalues --    0.77063   0.77292   0.77924   0.78491   0.78937
 Alpha virt. eigenvalues --    0.79675   0.80022   0.80593   0.81234   0.81827
 Alpha virt. eigenvalues --    0.81862   0.82549   0.82843   0.83362   0.84131
 Alpha virt. eigenvalues --    0.84555   0.84697   0.85274   0.85722   0.85928
 Alpha virt. eigenvalues --    0.86900   0.87010   0.87913   0.88263   0.88610
 Alpha virt. eigenvalues --    0.89476   0.90505   0.91258   0.91427   0.91775
 Alpha virt. eigenvalues --    0.92504   0.92635   0.93395   0.93908   0.95659
 Alpha virt. eigenvalues --    0.95984   0.97319   0.98111   0.98514   0.99055
 Alpha virt. eigenvalues --    1.00113   1.01085   1.02118   1.02674   1.03414
 Alpha virt. eigenvalues --    1.04223   1.05481   1.06302   1.07744   1.08768
 Alpha virt. eigenvalues --    1.09948   1.10705   1.10898   1.11484   1.12834
 Alpha virt. eigenvalues --    1.13689   1.14268   1.14524   1.15463   1.16555
 Alpha virt. eigenvalues --    1.18255   1.18636   1.19942   1.20457   1.21265
 Alpha virt. eigenvalues --    1.22337   1.23231   1.24277   1.25476   1.25660
 Alpha virt. eigenvalues --    1.26694   1.27676   1.28902   1.30381   1.31446
 Alpha virt. eigenvalues --    1.31881   1.33053   1.34000   1.35194   1.36129
 Alpha virt. eigenvalues --    1.36488   1.38434   1.39309   1.39910   1.40115
 Alpha virt. eigenvalues --    1.41472   1.42037   1.42553   1.43749   1.44300
 Alpha virt. eigenvalues --    1.45701   1.46353   1.48181   1.48448   1.48791
 Alpha virt. eigenvalues --    1.49337   1.50098   1.50636   1.51272   1.52732
 Alpha virt. eigenvalues --    1.53986   1.54336   1.55623   1.55895   1.57186
 Alpha virt. eigenvalues --    1.58098   1.59098   1.59371   1.59430   1.60765
 Alpha virt. eigenvalues --    1.61086   1.61299   1.62778   1.63631   1.64824
 Alpha virt. eigenvalues --    1.65664   1.65765   1.67206   1.67684   1.68590
 Alpha virt. eigenvalues --    1.68676   1.69473   1.70316   1.70843   1.71461
 Alpha virt. eigenvalues --    1.72017   1.72949   1.74090   1.74511   1.75529
 Alpha virt. eigenvalues --    1.76306   1.76411   1.77729   1.78420   1.79407
 Alpha virt. eigenvalues --    1.80172   1.80819   1.81787   1.82550   1.83061
 Alpha virt. eigenvalues --    1.83532   1.84594   1.86175   1.87418   1.87937
 Alpha virt. eigenvalues --    1.88865   1.89271   1.90652   1.92243   1.92597
 Alpha virt. eigenvalues --    1.93447   1.95147   1.96222   1.97043   1.97590
 Alpha virt. eigenvalues --    1.98248   1.99258   1.99772   2.00803   2.01111
 Alpha virt. eigenvalues --    2.02739   2.03243   2.03607   2.05306   2.05706
 Alpha virt. eigenvalues --    2.05868   2.06283   2.07801   2.08140   2.08479
 Alpha virt. eigenvalues --    2.09801   2.10727   2.11047   2.11473   2.13049
 Alpha virt. eigenvalues --    2.13699   2.13968   2.15184   2.15991   2.17225
 Alpha virt. eigenvalues --    2.18183   2.19157   2.19784   2.20928   2.21908
 Alpha virt. eigenvalues --    2.24039   2.24545   2.25057   2.25636   2.27667
 Alpha virt. eigenvalues --    2.28520   2.28998   2.30069   2.32224   2.32538
 Alpha virt. eigenvalues --    2.33767   2.34808   2.37015   2.38713   2.40294
 Alpha virt. eigenvalues --    2.41339   2.42087   2.43300   2.44128   2.44647
 Alpha virt. eigenvalues --    2.45238   2.47014   2.49169   2.49515   2.52136
 Alpha virt. eigenvalues --    2.53464   2.56850   2.59100   2.60046   2.61731
 Alpha virt. eigenvalues --    2.63525   2.64419   2.66924   2.68431   2.69070
 Alpha virt. eigenvalues --    2.70088   2.72235   2.73099   2.77289   2.77803
 Alpha virt. eigenvalues --    2.80001   2.81183   2.83982   2.84499   2.88036
 Alpha virt. eigenvalues --    2.89202   2.91979   2.94923   2.95421   3.00248
 Alpha virt. eigenvalues --    3.00995   3.02063   3.04395   3.14493   3.15525
 Alpha virt. eigenvalues --    3.19753   3.25607   3.32751   3.38078   3.42466
 Alpha virt. eigenvalues --    3.44763   3.46064   3.48883   3.49908   3.50421
 Alpha virt. eigenvalues --    3.53093   3.55433   3.56804   3.58836   3.59603
 Alpha virt. eigenvalues --    3.61275   3.62877   3.67264   3.75654   3.84227
 Alpha virt. eigenvalues --    3.85425   3.88291   3.91403   4.00434   4.11038
 Alpha virt. eigenvalues --    4.46528   4.74533
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   28.410027  -5.187714 -14.835158   4.687677  -3.931258   4.175341
     2  C   -5.187714  21.502125   5.596211  -2.771080   4.813908  -9.529885
     3  C  -14.835158   5.596211  36.595852 -11.988971   0.348408  -2.552753
     4  C    4.687677  -2.771080 -11.988971  24.249661  -7.115195   2.767237
     5  C   -3.931258   4.813908   0.348408  -7.115195  29.843444 -17.153260
     6  C    4.175341  -9.529885  -2.552753   2.767237 -17.153260  33.063357
     7  C  -12.647841   1.080739  -2.967865   0.278221  -1.566140   1.228664
     8  H    1.537244  -0.840860  -4.802343   1.401910   0.296972  -0.056111
     9  H   -0.054674  -0.604906   0.423091   0.264789  -3.602584   2.006083
    10  H   -0.576119   0.870278   0.004802  -0.622387   2.948737  -4.460673
    11  C    0.498638  -1.336516  -0.561913  -5.154776  -1.968109   2.046158
    12  C    0.163909  -0.134135  -0.253835  -0.174764  -0.402881   0.125792
    13  C   -0.035904  -0.058026  -0.281762   0.172068  -0.354796   0.000574
    14  H   -0.031865  -0.013064  -0.280686   1.091542  -0.092417  -0.042014
    15  H    0.021645   0.031730  -0.228264   0.939667  -0.020219  -0.072013
    16  H   -0.039423  -0.007533   0.238165  -0.708517   0.074626   0.045832
    17  H    0.046717  -0.077304  -0.004467  -0.269489  -0.193978   0.148272
    18  O    0.004944   0.007370  -0.006805   0.118005   0.038320  -0.005438
    19  O    0.042201  -0.009705  -0.062177  -0.069277  -0.000602   0.012297
    20  H    0.004604  -0.041337  -0.011049   0.117484  -0.085282   0.048358
    21  C    6.343227  -5.009201  -1.446819   0.483293   0.448659  -0.828892
    22  C   -5.944201   1.302279   0.619016  -0.462966   0.765115  -0.439555
    23  C    2.613400  -4.387442   0.384306  -0.994715   2.625420  -5.802491
    24  O    0.196140   0.055344  -0.047261   0.042783  -0.042022  -0.038379
    25  C   -0.203502   0.015222  -0.015217   0.002900   0.029162   0.006556
    26  H    1.934287  -0.260790  -0.046880   0.086708   0.031040  -0.112518
    27  H   -0.572712   0.212296  -0.078080   0.006321   0.008982   0.055532
    28  H   -0.459834   0.347767   0.012965  -0.039170   0.181559   0.134906
    29  H   -0.026499   0.072149  -0.000166   0.001645  -0.010058  -0.004003
    30  H    0.016984  -0.097047   0.001121  -0.001443   0.006673   0.006956
    31  H   -0.026060   0.041519   0.002499  -0.001050  -0.005823  -0.002136
               7          8          9         10         11         12
     1  C  -12.647841   1.537244  -0.054674  -0.576119   0.498638   0.163909
     2  C    1.080739  -0.840860  -0.604906   0.870278  -1.336516  -0.134135
     3  C   -2.967865  -4.802343   0.423091   0.004802  -0.561913  -0.253835
     4  C    0.278221   1.401910   0.264789  -0.622387  -5.154776  -0.174764
     5  C   -1.566140   0.296972  -3.602584   2.948737  -1.968109  -0.402881
     6  C    1.228664  -0.056111   2.006083  -4.460673   2.046158   0.125792
     7  C   35.581749   0.674593   0.070152  -0.127958  -0.179296   0.079991
     8  H    0.674593   3.727201  -0.041110   0.008455   0.253168   0.045157
     9  H    0.070152  -0.041110   3.811559  -0.366984   0.233328   0.045015
    10  H   -0.127958   0.008455  -0.366984   3.417163  -0.048717   0.012902
    11  C   -0.179296   0.253168   0.233328  -0.048717  13.948713   0.522969
    12  C    0.079991   0.045157   0.045015   0.012902   0.522969   4.621932
    13  C    0.043123   0.023626   0.080263   0.003713  -1.014909  -0.112234
    14  H   -0.004358  -0.168236  -0.008248   0.001603  -1.282287   0.052164
    15  H    0.002056   0.004276   0.017128  -0.001530  -0.416512   0.015602
    16  H   -0.019876   0.008636   0.014908  -0.001354   0.511041   0.106624
    17  H    0.018113  -0.001268  -0.068764   0.009189   0.046360   0.445887
    18  O   -0.000497   0.002762  -0.006298   0.000428  -0.291978   0.035806
    19  O    0.006449  -0.003109   0.006060  -0.000835   0.269573  -0.016330
    20  H    0.025817  -0.018192   0.005857  -0.002401  -0.119178   0.000854
    21  C  -16.523511   0.218838   0.026141   0.009996   0.143094  -0.003102
    22  C    7.209352   0.019571  -0.025766   0.177516  -0.055584   0.004975
    23  C   -5.411772  -0.062425  -0.220679   0.888925  -0.143285  -0.051613
    24  O   -0.304506  -0.000699  -0.000490   0.002334   0.000353   0.000007
    25  C    0.378482  -0.000083  -0.001600   0.014596  -0.002004   0.000247
    26  H   -4.257029  -0.197805   0.003186  -0.003419  -0.009985   0.001400
    27  H    1.845074  -0.004959  -0.001210   0.005748   0.001983  -0.000333
    28  H   -0.129309   0.009143   0.015335  -0.219952   0.004636  -0.000762
    29  H    0.036516  -0.000434  -0.000589   0.003208  -0.000083   0.000055
    30  H   -0.001825   0.000267   0.000070  -0.001147  -0.000206   0.000018
    31  H    0.035148  -0.000390  -0.000400   0.002433  -0.000142  -0.000016
              13         14         15         16         17         18
     1  C   -0.035904  -0.031865   0.021645  -0.039423   0.046717   0.004944
     2  C   -0.058026  -0.013064   0.031730  -0.007533  -0.077304   0.007370
     3  C   -0.281762  -0.280686  -0.228264   0.238165  -0.004467  -0.006805
     4  C    0.172068   1.091542   0.939667  -0.708517  -0.269489   0.118005
     5  C   -0.354796  -0.092417  -0.020219   0.074626  -0.193978   0.038320
     6  C    0.000574  -0.042014  -0.072013   0.045832   0.148272  -0.005438
     7  C    0.043123  -0.004358   0.002056  -0.019876   0.018113  -0.000497
     8  H    0.023626  -0.168236   0.004276   0.008636  -0.001268   0.002762
     9  H    0.080263  -0.008248   0.017128   0.014908  -0.068764  -0.006298
    10  H    0.003713   0.001603  -0.001530  -0.001354   0.009189   0.000428
    11  C   -1.014909  -1.282287  -0.416512   0.511041   0.046360  -0.291978
    12  C   -0.112234   0.052164   0.015602   0.106624   0.445887   0.035806
    13  C    6.690515   0.066767  -0.018590  -0.064467  -0.027521   0.299245
    14  H    0.066767   2.135387  -0.020082  -0.092683   0.096993   0.033557
    15  H   -0.018590  -0.020082   1.703770  -0.364350  -0.363387  -0.000145
    16  H   -0.064467  -0.092683  -0.364350   1.718466  -0.251832   0.014798
    17  H   -0.027521   0.096993  -0.363387  -0.251832   1.576353   0.031746
    18  O    0.299245   0.033557  -0.000145   0.014798   0.031746   8.364085
    19  O   -0.277193   0.001359  -0.003548   0.005267   0.009962  -0.103562
    20  H    0.003527   0.020649   0.000213  -0.001338  -0.000139   0.014624
    21  C    0.006663   0.014747   0.000225  -0.002975  -0.002464  -0.000077
    22  C   -0.002354  -0.002564   0.000082   0.000613   0.000991   0.000017
    23  C   -0.045716  -0.003391  -0.001542   0.005572  -0.015466   0.000755
    24  O   -0.000017  -0.000029  -0.000003   0.000004  -0.000000   0.000000
    25  C   -0.000021  -0.000082  -0.000005   0.000003   0.000149   0.000002
    26  H    0.002725   0.012327   0.000426  -0.002094   0.000038   0.000030
    27  H   -0.000300   0.000153   0.000005   0.000081  -0.000063   0.000007
    28  H   -0.000079  -0.000024   0.000209  -0.000201  -0.001111  -0.000008
    29  H   -0.000015   0.000010   0.000000   0.000001   0.000031   0.000001
    30  H    0.000009  -0.000015   0.000000  -0.000002   0.000007   0.000000
    31  H   -0.000004   0.000014  -0.000003   0.000007   0.000012   0.000001
              19         20         21         22         23         24
     1  C    0.042201   0.004604   6.343227  -5.944201   2.613400   0.196140
     2  C   -0.009705  -0.041337  -5.009201   1.302279  -4.387442   0.055344
     3  C   -0.062177  -0.011049  -1.446819   0.619016   0.384306  -0.047261
     4  C   -0.069277   0.117484   0.483293  -0.462966  -0.994715   0.042783
     5  C   -0.000602  -0.085282   0.448659   0.765115   2.625420  -0.042022
     6  C    0.012297   0.048358  -0.828892  -0.439555  -5.802491  -0.038379
     7  C    0.006449   0.025817 -16.523511   7.209352  -5.411772  -0.304506
     8  H   -0.003109  -0.018192   0.218838   0.019571  -0.062425  -0.000699
     9  H    0.006060   0.005857   0.026141  -0.025766  -0.220679  -0.000490
    10  H   -0.000835  -0.002401   0.009996   0.177516   0.888925   0.002334
    11  C    0.269573  -0.119178   0.143094  -0.055584  -0.143285   0.000353
    12  C   -0.016330   0.000854  -0.003102   0.004975  -0.051613   0.000007
    13  C   -0.277193   0.003527   0.006663  -0.002354  -0.045716  -0.000017
    14  H    0.001359   0.020649   0.014747  -0.002564  -0.003391  -0.000029
    15  H   -0.003548   0.000213   0.000225   0.000082  -0.001542  -0.000003
    16  H    0.005267  -0.001338  -0.002975   0.000613   0.005572   0.000004
    17  H    0.009962  -0.000139  -0.002464   0.000991  -0.015466  -0.000000
    18  O   -0.103562   0.014624  -0.000077   0.000017   0.000755   0.000000
    19  O    8.445399   0.236568  -0.000045   0.000471  -0.003754  -0.000010
    20  H    0.236568   0.634434  -0.008178   0.005193  -0.010563   0.000037
    21  C   -0.000045  -0.008178  27.305234  -7.221656   2.984581   0.052997
    22  C    0.000471   0.005193  -7.221656  16.388696  -6.608664  -0.837903
    23  C   -0.003754  -0.010563   2.984581  -6.608664  20.634033   0.595503
    24  O   -0.000010   0.000037   0.052997  -0.837903   0.595503   9.307104
    25  C    0.000032   0.000038  -0.464982   0.045204   0.031073   0.157515
    26  H    0.000655  -0.000489   2.355411  -0.886736   0.303425  -0.005022
    27  H   -0.000049  -0.000072  -3.027885   1.175223  -0.218294  -0.129340
    28  H    0.000621  -0.000608   0.401826   1.116853  -2.948251  -0.185806
    29  H   -0.000014   0.000056  -0.031007  -0.051852  -0.009574   0.106029
    30  H    0.000006  -0.000020  -0.011112   0.212195   0.009299  -0.364934
    31  H   -0.000013   0.000037  -0.014856  -0.046113   0.000273   0.102636
              25         26         27         28         29         30
     1  C   -0.203502   1.934287  -0.572712  -0.459834  -0.026499   0.016984
     2  C    0.015222  -0.260790   0.212296   0.347767   0.072149  -0.097047
     3  C   -0.015217  -0.046880  -0.078080   0.012965  -0.000166   0.001121
     4  C    0.002900   0.086708   0.006321  -0.039170   0.001645  -0.001443
     5  C    0.029162   0.031040   0.008982   0.181559  -0.010058   0.006673
     6  C    0.006556  -0.112518   0.055532   0.134906  -0.004003   0.006956
     7  C    0.378482  -4.257029   1.845074  -0.129309   0.036516  -0.001825
     8  H   -0.000083  -0.197805  -0.004959   0.009143  -0.000434   0.000267
     9  H   -0.001600   0.003186  -0.001210   0.015335  -0.000589   0.000070
    10  H    0.014596  -0.003419   0.005748  -0.219952   0.003208  -0.001147
    11  C   -0.002004  -0.009985   0.001983   0.004636  -0.000083  -0.000206
    12  C    0.000247   0.001400  -0.000333  -0.000762   0.000055   0.000018
    13  C   -0.000021   0.002725  -0.000300  -0.000079  -0.000015   0.000009
    14  H   -0.000082   0.012327   0.000153  -0.000024   0.000010  -0.000015
    15  H   -0.000005   0.000426   0.000005   0.000209   0.000000   0.000000
    16  H    0.000003  -0.002094   0.000081  -0.000201   0.000001  -0.000002
    17  H    0.000149   0.000038  -0.000063  -0.001111   0.000031   0.000007
    18  O    0.000002   0.000030   0.000007  -0.000008   0.000001   0.000000
    19  O    0.000032   0.000655  -0.000049   0.000621  -0.000014   0.000006
    20  H    0.000038  -0.000489  -0.000072  -0.000608   0.000056  -0.000020
    21  C   -0.464982   2.355411  -3.027885   0.401826  -0.031007  -0.011112
    22  C    0.045204  -0.886736   1.175223   1.116853  -0.051852   0.212195
    23  C    0.031073   0.303425  -0.218294  -2.948251  -0.009574   0.009299
    24  O    0.157515  -0.005022  -0.129340  -0.185806   0.106029  -0.364934
    25  C    4.178210  -0.007874   0.049037  -0.040649   0.307068   0.277473
    26  H   -0.007874   3.183053  -0.193653   0.010882  -0.001114   0.000135
    27  H    0.049037  -0.193653   2.706880  -0.043848   0.009598  -0.008583
    28  H   -0.040649   0.010882  -0.043848   4.062940  -0.074124   0.042815
    29  H    0.307068  -0.001114   0.009598  -0.074124   1.307579  -0.450225
    30  H    0.277473   0.000135  -0.008583   0.042815  -0.450225   2.262478
    31  H    0.301858  -0.001143   0.009834  -0.066058  -0.096493  -0.447942
              31
     1  C   -0.026060
     2  C    0.041519
     3  C    0.002499
     4  C   -0.001050
     5  C   -0.005823
     6  C   -0.002136
     7  C    0.035148
     8  H   -0.000390
     9  H   -0.000400
    10  H    0.002433
    11  C   -0.000142
    12  C   -0.000016
    13  C   -0.000004
    14  H    0.000014
    15  H   -0.000003
    16  H    0.000007
    17  H    0.000012
    18  O    0.000001
    19  O   -0.000013
    20  H    0.000037
    21  C   -0.014856
    22  C   -0.046113
    23  C    0.000273
    24  O    0.102636
    25  C    0.301858
    26  H   -0.001143
    27  H    0.009834
    28  H   -0.066058
    29  H   -0.096493
    30  H   -0.447942
    31  H    1.303125
 Mulliken charges:
               1
     1  C   -0.124219
     2  C    0.417608
     3  C    2.246032
     4  C   -0.338109
     5  C    0.083602
     6  C    1.228208
     7  C    1.547545
     8  H   -1.033795
     9  H   -1.018663
    10  H   -0.948551
    11  C    0.105468
    12  C    0.868702
    13  C    0.901091
    14  H   -0.485228
    15  H   -0.226843
    16  H   -0.188002
    17  H   -0.153567
    18  O   -0.551695
    19  O   -0.486695
    20  H    0.180497
    21  C   -0.198172
    22  C   -0.457447
    23  C    1.863072
    24  O   -0.662364
    25  C    0.941192
    26  H   -0.939175
    27  H   -0.807374
    28  H   -1.132661
    29  H   -0.087695
    30  H   -0.452006
    31  H   -0.090755
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.124219
     2  C    0.417608
     3  C    1.212237
     4  C   -0.338109
     5  C   -0.935061
     6  C    0.279657
     7  C    0.608369
    11  C   -0.379760
    12  C    0.300289
    13  C    0.901091
    18  O   -0.551695
    19  O   -0.306199
    21  C   -1.005546
    22  C   -0.457447
    23  C    0.730410
    24  O   -0.662364
    25  C    0.310737
 Electronic spatial extent (au):  <R**2>=           5500.4994
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.1681    Y=              0.3728    Z=             -1.6331  Tot=              5.4328
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -115.9009   YY=            -89.1022   ZZ=           -105.5895
   XY=             13.4379   XZ=            -10.4940   YZ=              1.3250
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -12.3700   YY=             14.4287   ZZ=             -2.0586
   XY=             13.4379   XZ=            -10.4940   YZ=              1.3250
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -206.8342  YYY=              1.6553  ZZZ=              4.7322  XYY=            -11.0348
  XXY=             -7.3363  XXZ=            -40.9816  XZZ=             -4.5498  YZZ=             -0.1201
  YYZ=              2.1567  XYZ=              5.9639
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6441.8250 YYYY=           -684.8089 ZZZZ=           -490.3752 XXXY=            365.4961
 XXXZ=           -211.8921 YYYX=             -6.4823 YYYZ=              2.7850 ZZZX=             -8.0030
 ZZZY=             -0.1293 XXYY=          -1038.9600 XXZZ=          -1142.7477 YYZZ=           -215.2940
 XXYZ=             14.7994 YYXZ=              0.9859 ZZXY=             14.0347
 N-N= 1.134197978806D+03 E-N=-4.055966724331D+03  KE= 7.630467165562D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 15:36:40 2021, MaxMem=  5368709120 cpu:               6.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.05154310D+00 1.44098662D-01-6.12924232D-01
 Polarizability= 2.76001193D+02-6.98195046D+00 1.60134810D+02
                -1.23090949D+01 1.86295908D+00 1.11988278D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        6.5356    6.5334       -4.5927   -4.5887
 2     -6.5356   -6.5334       -1.0633   -1.0625      -63.6054  -63.6053
 3      4.5927    4.5887       89.3531   89.3537        1.0648    1.0625
 4      1.0633    1.0625        0.0000    0.0000        4.5897    4.5887
 5    -25.7477  -25.7483       -4.5897   -4.5887        6.5365    6.5334
 6     -1.0648   -1.0625       -6.5365   -6.5334       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000      -19.6003  -19.6003      -13.7661  -13.7661
 2      3.1876    3.1876       -0.0000    0.0000      -13.7661  -13.7661
 3      3.1876    3.1876      -19.6003  -19.6003        0.0000    0.0000
 4    -19.6003  -19.6003       -3.1876   -3.1876     -190.8160 -190.8160
 5     13.7661   13.7661      268.0610  268.0610        3.1876    3.1876
 6    -77.2450  -77.2450      -13.7661  -13.7661       19.6003   19.6003
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2800    0.0000      -26.9418  -26.1338       18.5363   18.3549
 2     26.1903   26.1338        4.1510    4.2501      254.0007  254.4213
 3    -19.0287  -18.3549     -357.8818 -357.4146       -3.9884   -4.2501
 4     -4.2073   -4.2501       -0.2006    0.0000      -18.2578  -18.3549
 5    102.8519  102.9933       18.3746   18.3549      -26.0984  -26.1338
 6      4.1191    4.2501       25.8833   26.1338        0.0277    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1985    0.0000       81.1801   80.9251      -20.4017  -20.0919
 2    -81.1921  -80.9251       99.5867   99.2853       -7.3648   -7.6020
 3     19.9211   20.0919        0.5128    0.4062      -99.1301  -99.2853
 4    -99.1598  -99.2853       -0.3999    0.0000       19.9829   20.0919
 5      6.9786    7.1958      -20.0169  -20.0919       80.9253   80.9251
 6     98.8416   99.2853      -80.8347  -80.9251        0.2183    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1   -101.4341 -101.2968       66.6589   67.4881       11.5135   12.0090
 2   -243.6906 -244.1316      106.3934  107.2543       11.3541   12.0090
 3   -243.8213 -244.1316       66.5427   67.4881       36.1386   36.7781
 4    -39.2035  -39.7663      143.6341  142.8348       -8.2069   -7.9251
 5     25.1333   24.7691        0.7684    0.7664     -142.6261 -142.8348
 6      7.4531    7.1587      -24.3379  -24.7691       38.1835   39.7663
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4325   -2.8268   -0.0005    0.0007    0.0007    2.9090
 Low frequencies ---   28.5925   40.9996   45.5087
 Diagonal vibrational polarizability:
       64.2976957      99.7890273      83.6611673
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     28.5920                40.9969                45.5086
 Red. masses --      5.3904                 8.0286                 4.5467
 Frc consts  --      0.0026                 0.0080                 0.0055
 IR Inten    --      2.3576                 6.7175                 0.4206
 RamAct Fr= 1--      4.0264                 1.1982                 2.4254
  Dep-P Fr= 1--      0.7499                 0.6930                 0.7489
  Dep-U Fr= 1--      0.8571                 0.8186                 0.8565
 Alpha2 Fr= 1--      0.0000                 0.0012                 0.0000
 Beta2  Fr= 1--      0.5752                 0.1635                 0.3462
 AlphaG Fr= 1--      0.0004                 0.0131                -0.0019
 Gamma2 Fr= 1--      0.4636                -0.8445                 0.8000
 Delta2 Fr= 1--      0.1801                -0.4303                 0.0872
 Raman1 Fr= 1--      16.105                  4.793                  9.702
 ROA1   Fr= 1--      50.265                -94.838                 79.586
 CID1   Fr= 1--       3.121                -19.788                  8.203
 Raman2 Fr= 1--       6.902                  1.962                  4.155
 ROA2   Fr= 1--       9.685                -16.824                 18.501
 CID2   Fr= 1--       1.403                 -8.576                  4.453
 Raman3 Fr= 1--      13.804                  3.924                  8.309
 ROA3   Fr= 1--      50.265                -94.838                 79.586
 CID3   Fr= 1--       3.641                -24.172                  9.578
 RC180  Fr= 1--       0.714                  0.637                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.00    -0.01  -0.02   0.03    -0.00   0.02  -0.12
     2   6    -0.00   0.02   0.09    -0.03  -0.01   0.04     0.01   0.02  -0.08
     3   6    -0.03   0.04   0.03    -0.00  -0.04   0.03    -0.00   0.03  -0.10
     4   6    -0.01   0.05   0.12    -0.01  -0.05   0.04     0.01   0.04  -0.05
     5   6     0.02   0.04   0.21    -0.04  -0.05   0.06     0.02   0.03  -0.05
     6   6     0.02   0.03   0.21    -0.04  -0.03   0.06     0.02   0.02  -0.06
     7   6    -0.05   0.02  -0.12     0.01  -0.00   0.01    -0.01   0.02  -0.16
     8   1    -0.04   0.05  -0.04     0.01  -0.05   0.02    -0.01   0.03  -0.10
     9   1     0.03   0.05   0.29    -0.05  -0.06   0.06     0.03   0.04  -0.02
    10   1     0.04   0.02   0.28    -0.05  -0.03   0.08     0.03   0.02  -0.04
    11   6    -0.01   0.06   0.06    -0.02  -0.06  -0.01     0.01   0.04   0.05
    12   6    -0.12   0.18  -0.03    -0.05  -0.11  -0.01     0.08   0.14   0.04
    13   6     0.06  -0.08  -0.05     0.08   0.06  -0.02    -0.05  -0.06   0.05
    14   1    -0.01   0.05   0.16    -0.03  -0.05  -0.08     0.02   0.04   0.14
    15   1    -0.11   0.16  -0.08    -0.06  -0.11  -0.05     0.09   0.11   0.13
    16   1    -0.17   0.28   0.05    -0.08  -0.15  -0.02     0.14   0.22   0.05
    17   1    -0.15   0.19  -0.14    -0.06  -0.11   0.03     0.05   0.14  -0.05
    18   8     0.03  -0.14  -0.18     0.26   0.48  -0.03    -0.02   0.00   0.08
    19   8     0.17  -0.14   0.02    -0.04  -0.33  -0.03    -0.14  -0.23   0.03
    20   1     0.18  -0.08   0.12    -0.13  -0.59  -0.04    -0.14  -0.24  -0.00
    21   6    -0.05   0.00  -0.15     0.00   0.02  -0.01    -0.01   0.01  -0.10
    22   6    -0.02  -0.01  -0.06    -0.02   0.03  -0.01     0.01   0.00  -0.01
    23   6    -0.00   0.00   0.06    -0.03   0.01   0.02     0.02   0.01  -0.02
    24   8    -0.03  -0.02  -0.11    -0.03   0.05  -0.05     0.02  -0.01   0.08
    25   6    -0.00  -0.03  -0.03    -0.05   0.06  -0.07     0.05  -0.02   0.29
    26   1    -0.07   0.02  -0.19     0.03  -0.01   0.01    -0.02   0.02  -0.21
    27   1    -0.06  -0.01  -0.25     0.01   0.03  -0.03    -0.01   0.00  -0.11
    28   1     0.02  -0.00   0.13    -0.05   0.02   0.03     0.03   0.00   0.04
    29   1     0.05  -0.10   0.02    -0.03   0.06  -0.06    -0.04  -0.12   0.32
    30   1    -0.01  -0.04  -0.10    -0.06   0.09  -0.11     0.06  -0.03   0.39
    31   1    -0.04   0.05   0.03    -0.10   0.05  -0.06     0.15   0.08   0.31
                      4                      5                      6
                      A                      A                      A
 Frequencies --     96.1629               127.4601               139.0871
 Red. masses --      4.0011                 4.4316                 4.0576
 Frc consts  --      0.0218                 0.0424                 0.0462
 IR Inten    --      2.9566                 0.3348                 0.2755
 RamAct Fr= 1--      2.3500                 0.2788                 0.5929
  Dep-P Fr= 1--      0.7269                 0.2693                 0.7355
  Dep-U Fr= 1--      0.8419                 0.4244                 0.8476
 Alpha2 Fr= 1--      0.0009                 0.0031                 0.0001
 Beta2  Fr= 1--      0.3297                 0.0197                 0.0838
 AlphaG Fr= 1--      0.0004                 0.0141                -0.0035
 Gamma2 Fr= 1--     -0.1526                 0.2677                 1.0949
 Delta2 Fr= 1--      0.3479                -0.2399                 1.0065
 Raman1 Fr= 1--       9.400                  1.115                  2.372
 ROA1   Fr= 1--      -3.520                 18.021                137.316
 CID1   Fr= 1--      -0.374                 16.158                 57.903
 Raman2 Fr= 1--       3.957                  0.237                  1.005
 ROA2   Fr= 1--      -6.446                  8.344                 18.225
 CID2   Fr= 1--      -1.629                 35.258                 18.135
 Raman3 Fr= 1--       7.914                  0.473                  2.010
 ROA3   Fr= 1--      -3.520                 18.021                137.316
 CID3   Fr= 1--      -0.445                 38.076                 68.316
 RC180  Fr= 1--       0.684                 -0.151                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.04    -0.02  -0.08  -0.13     0.03  -0.10   0.09
     2   6    -0.03  -0.02  -0.10    -0.04  -0.07  -0.10     0.01  -0.09   0.12
     3   6    -0.00  -0.04   0.13    -0.02  -0.09  -0.08     0.01  -0.09   0.02
     4   6    -0.01  -0.04   0.09    -0.00  -0.08   0.03     0.01  -0.08  -0.07
     5   6    -0.03  -0.03  -0.04    -0.01  -0.08   0.02     0.02  -0.08  -0.06
     6   6    -0.04  -0.02  -0.13    -0.03  -0.07  -0.06     0.02  -0.09   0.06
     7   6    -0.00  -0.02   0.04     0.01  -0.05  -0.13     0.06  -0.06   0.06
     8   1     0.01  -0.04   0.21    -0.03  -0.08  -0.10     0.00  -0.09   0.03
     9   1    -0.04  -0.04  -0.08    -0.01  -0.09   0.08     0.01  -0.08  -0.13
    10   1    -0.05  -0.02  -0.24    -0.02  -0.07  -0.05     0.03  -0.09   0.08
    11   6    -0.01  -0.02   0.06    -0.01   0.01   0.08    -0.01   0.03  -0.04
    12   6    -0.06  -0.01   0.03     0.03   0.16   0.04     0.10   0.21  -0.05
    13   6     0.07   0.02   0.02     0.05   0.02   0.04    -0.04   0.03  -0.03
    14   1    -0.04  -0.02   0.04    -0.10   0.01   0.15    -0.11   0.04   0.05
    15   1    -0.07   0.05  -0.03     0.01   0.27   0.05     0.08   0.30   0.04
    16   1    -0.13  -0.06   0.05    -0.02   0.18   0.08     0.12   0.27  -0.03
    17   1     0.00  -0.02   0.06     0.13   0.16  -0.04     0.19   0.22  -0.18
    18   8     0.07   0.03  -0.04     0.05   0.03  -0.01    -0.04   0.02   0.02
    19   8     0.16   0.08   0.06     0.13   0.06   0.07    -0.09   0.04  -0.05
    20   1     0.15   0.07   0.11     0.12   0.05   0.12    -0.08   0.04  -0.09
    21   6    -0.01  -0.00  -0.04     0.02  -0.02  -0.01     0.05  -0.02  -0.02
    22   6    -0.03   0.00  -0.12    -0.01  -0.01   0.07     0.02  -0.01  -0.01
    23   6    -0.05  -0.00  -0.17    -0.05  -0.04  -0.03    -0.01  -0.05   0.12
    24   8    -0.03   0.02  -0.12    -0.00   0.06   0.24    -0.00   0.08  -0.17
    25   6    -0.03   0.03   0.24    -0.13   0.11  -0.10    -0.10   0.13   0.05
    26   1     0.02  -0.02   0.13     0.04  -0.06  -0.18     0.10  -0.08   0.05
    27   1    -0.00   0.00  -0.02     0.04  -0.00   0.04     0.07  -0.00  -0.09
    28   1    -0.06   0.00  -0.25    -0.08  -0.03   0.00    -0.05  -0.04   0.14
    29   1    -0.18  -0.18   0.32    -0.21   0.35  -0.25    -0.04  -0.09   0.19
    30   1    -0.01   0.05   0.39    -0.12   0.19  -0.03    -0.10   0.23  -0.08
    31   1     0.11   0.22   0.30    -0.16  -0.17  -0.27    -0.23   0.28   0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    187.7822               209.6128               213.2491
 Red. masses --      3.2557                 1.0819                 3.1635
 Frc consts  --      0.0676                 0.0280                 0.0848
 IR Inten    --      0.9679                 0.5582                 2.5538
 RamAct Fr= 1--      0.1140                 0.3329                 6.7524
  Dep-P Fr= 1--      0.1161                 0.4241                 0.3202
  Dep-U Fr= 1--      0.2080                 0.5956                 0.4851
 Alpha2 Fr= 1--      0.0019                 0.0023                 0.0651
 Beta2  Fr= 1--      0.0040                 0.0330                 0.5459
 AlphaG Fr= 1--      0.0017                 0.0026                -0.0197
 Gamma2 Fr= 1--     -0.1456                -0.1972                -0.8068
 Delta2 Fr= 1--      0.0577                -0.0956                -0.4863
 Raman1 Fr= 1--       0.456                  1.332                 27.009
 ROA1   Fr= 1--     -12.128                -21.988                -93.012
 CID1   Fr= 1--     -26.586                -16.513                 -3.444
 Raman2 Fr= 1--       0.047                  0.397                  6.551
 ROA2   Fr= 1--      -3.956                 -3.968                -15.472
 CID2   Fr= 1--     -83.390                -10.006                 -2.362
 Raman3 Fr= 1--       0.095                  0.793                 13.102
 ROA3   Fr= 1--     -12.128                -21.988                -93.012
 CID3   Fr= 1--    -127.829                -27.726                 -7.099
 RC180  Fr= 1--      -0.584                  0.191                 -0.030
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.08    -0.00   0.00  -0.01     0.03  -0.02   0.06
     2   6     0.01  -0.02  -0.10     0.00   0.00  -0.01     0.01  -0.01   0.01
     3   6    -0.01  -0.01  -0.13    -0.00  -0.00  -0.02     0.02  -0.06   0.12
     4   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.09   0.06
     5   6     0.04  -0.01   0.22     0.00  -0.00   0.02    -0.02  -0.09   0.02
     6   6     0.03  -0.02   0.12    -0.00   0.00   0.01    -0.03  -0.05   0.01
     7   6     0.03  -0.02   0.10     0.00   0.00   0.01     0.07   0.02  -0.03
     8   1    -0.02  -0.00  -0.22    -0.00  -0.00  -0.04     0.07  -0.08   0.15
     9   1     0.07  -0.01   0.44     0.00  -0.00   0.04    -0.03  -0.09  -0.01
    10   1     0.05  -0.03   0.23    -0.00   0.00   0.03    -0.07  -0.04  -0.02
    11   6    -0.00   0.02  -0.02    -0.01   0.01   0.00    -0.06  -0.02   0.00
    12   6    -0.03   0.03  -0.04     0.03   0.00   0.02    -0.15   0.08  -0.07
    13   6    -0.03   0.01  -0.02    -0.01   0.01  -0.00    -0.06   0.01  -0.01
    14   1    -0.01   0.02  -0.01    -0.03   0.02  -0.01    -0.12  -0.02   0.03
    15   1     0.00  -0.09   0.00    -0.10   0.49  -0.21    -0.17   0.16  -0.18
    16   1     0.04   0.16  -0.02    -0.32  -0.44  -0.00    -0.28   0.10   0.01
    17   1    -0.17   0.05  -0.12     0.54  -0.05   0.30    -0.09   0.08  -0.13
    18   8    -0.03   0.00   0.01    -0.02  -0.01  -0.03    -0.05   0.03   0.02
    19   8    -0.06   0.00  -0.03    -0.01  -0.02   0.00    -0.09   0.04  -0.03
    20   1    -0.06   0.01  -0.06    -0.00  -0.01   0.02    -0.10   0.00  -0.06
    21   6     0.04  -0.01   0.18     0.00   0.01   0.02     0.05   0.06  -0.10
    22   6     0.02  -0.01  -0.05     0.00   0.01   0.00     0.05   0.06  -0.03
    23   6    -0.00  -0.01  -0.20     0.00   0.01  -0.01     0.02   0.04  -0.04
    24   8     0.02   0.02  -0.05     0.00   0.00  -0.01     0.07   0.02   0.07
    25   6    -0.01   0.03   0.04     0.01  -0.00   0.00     0.19  -0.03  -0.03
    26   1     0.05  -0.02   0.23     0.01   0.00   0.02     0.11   0.00  -0.06
    27   1     0.06  -0.02   0.38     0.01   0.01   0.04     0.06   0.07  -0.17
    28   1    -0.02  -0.01  -0.30    -0.00   0.01  -0.01    -0.01   0.05  -0.05
    29   1    -0.20   0.03  -0.01     0.03  -0.01   0.01     0.03   0.15  -0.18
    30   1     0.01   0.05   0.24     0.01  -0.01  -0.01     0.21  -0.16   0.25
    31   1     0.14   0.02  -0.04     0.02   0.01   0.01     0.46  -0.15  -0.22
                     10                     11                     12
                      A                      A                      A
 Frequencies --    220.1036               241.1905               284.6901
 Red. masses --      2.6540                 1.6417                 2.7693
 Frc consts  --      0.0758                 0.0563                 0.1322
 IR Inten    --      1.9403                 0.3960                 1.8887
 RamAct Fr= 1--      2.2510                 1.3562                 3.1476
  Dep-P Fr= 1--      0.6923                 0.1840                 0.4066
  Dep-U Fr= 1--      0.8181                 0.3109                 0.5781
 Alpha2 Fr= 1--      0.0023                 0.0192                 0.0228
 Beta2  Fr= 1--      0.3069                 0.0703                 0.3033
 AlphaG Fr= 1--     -0.0010                -0.0027                -0.0020
 Gamma2 Fr= 1--     -1.3405                 0.4380                 0.3415
 Delta2 Fr= 1--     -0.6032                 0.0319                -0.0890
 Raman1 Fr= 1--       9.004                  5.425                 12.590
 ROA1   Fr= 1--    -147.991                 43.070                 29.940
 CID1   Fr= 1--     -16.436                  7.939                  2.378
 Raman2 Fr= 1--       3.683                  0.843                  3.639
 ROA2   Fr= 1--     -27.346                 10.258                  8.909
 CID2   Fr= 1--      -7.424                 12.165                  2.448
 Raman3 Fr= 1--       7.367                  1.686                  7.278
 ROA3   Fr= 1--    -147.991                 43.070                 29.940
 CID3   Fr= 1--     -20.089                 25.539                  4.114
 RC180  Fr= 1--       0.636                 -0.378                  0.156
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.07    -0.01   0.02   0.04     0.00   0.01   0.08
     2   6    -0.05   0.03  -0.02    -0.03   0.02   0.05    -0.02   0.02  -0.04
     3   6    -0.01  -0.05  -0.11    -0.00  -0.01  -0.00     0.02  -0.01   0.14
     4   6    -0.04  -0.09  -0.03    -0.00  -0.02  -0.04     0.02  -0.02   0.03
     5   6    -0.08  -0.08  -0.00    -0.04  -0.01  -0.01    -0.01  -0.01   0.09
     6   6    -0.09  -0.01  -0.01    -0.04   0.01   0.06    -0.02   0.01   0.06
     7   6     0.00   0.04   0.02    -0.03   0.01   0.02    -0.02   0.01   0.01
     8   1     0.03  -0.06  -0.15     0.01  -0.01  -0.01     0.04  -0.02   0.18
     9   1    -0.11  -0.10   0.03    -0.06  -0.03  -0.02    -0.02  -0.03   0.14
    10   1    -0.15   0.00   0.02    -0.05   0.02   0.09    -0.03   0.02   0.09
    11   6    -0.03  -0.06   0.02     0.02  -0.02  -0.03     0.03  -0.02  -0.06
    12   6     0.05   0.06   0.02     0.16   0.01   0.02     0.15   0.01  -0.02
    13   6     0.01  -0.02   0.02     0.02  -0.01  -0.02     0.02  -0.00  -0.05
    14   1    -0.08  -0.06   0.07    -0.00  -0.02  -0.01     0.01  -0.01  -0.05
    15   1     0.06   0.04   0.13     0.16   0.03   0.17     0.14   0.06   0.10
    16   1     0.13   0.18   0.03     0.26   0.03  -0.03     0.23   0.01  -0.07
    17   1     0.02   0.07  -0.12     0.19   0.01  -0.01     0.21   0.01  -0.04
    18   8     0.03   0.02  -0.00     0.02  -0.00  -0.02     0.01  -0.01  -0.00
    19   8     0.07   0.03   0.04     0.03   0.00  -0.01    -0.04   0.01  -0.09
    20   1     0.05  -0.00   0.07     0.03   0.00  -0.01    -0.04   0.01  -0.14
    21   6    -0.00   0.07   0.10    -0.04   0.02  -0.02    -0.03   0.01  -0.09
    22   6    -0.02   0.07   0.04    -0.04   0.02  -0.02    -0.04   0.01  -0.06
    23   6    -0.03   0.07   0.04    -0.03   0.03   0.00    -0.04   0.02  -0.16
    24   8    -0.02  -0.01  -0.06    -0.04  -0.01  -0.02    -0.02  -0.02   0.15
    25   6     0.16  -0.09  -0.01     0.01  -0.04  -0.01    -0.02  -0.03   0.01
    26   1     0.03   0.03   0.04    -0.03   0.02   0.02    -0.03   0.01   0.03
    27   1     0.02   0.09   0.17    -0.03   0.03  -0.04    -0.03   0.02  -0.12
    28   1    -0.04   0.07   0.06    -0.03   0.03  -0.04    -0.03   0.02  -0.17
    29   1     0.53  -0.21   0.16    -0.38   0.13  -0.21     0.38  -0.09   0.15
    30   1     0.12  -0.24  -0.37     0.05  -0.10   0.51    -0.06  -0.03  -0.47
    31   1    -0.01   0.12   0.21     0.41  -0.18  -0.29    -0.36   0.04   0.22
                     13                     14                     15
                      A                      A                      A
 Frequencies --    301.0332               382.7621               400.5402
 Red. masses --      4.1729                 4.4356                 5.1402
 Frc consts  --      0.2228                 0.3829                 0.4859
 IR Inten    --     10.1313                 5.9554                 1.1615
 RamAct Fr= 1--      6.2151                 1.7243                 1.3343
  Dep-P Fr= 1--      0.1701                 0.5399                 0.7268
  Dep-U Fr= 1--      0.2908                 0.7012                 0.8418
 Alpha2 Fr= 1--      0.0913                 0.0070                 0.0005
 Beta2  Fr= 1--      0.3012                 0.2015                 0.1872
 AlphaG Fr= 1--      0.0842                 0.0017                 0.0031
 Gamma2 Fr= 1--      1.0236                -1.1350                 1.8198
 Delta2 Fr= 1--      0.4075                 0.0783                 0.5023
 Raman1 Fr= 1--      24.861                  6.897                  5.337
 ROA1   Fr= 1--     111.309               -106.450                190.773
 CID1   Fr= 1--       4.477                -15.434                 35.745
 Raman2 Fr= 1--       3.614                  2.418                  2.246
 ROA2   Fr= 1--      21.308                -27.866                 39.657
 CID2   Fr= 1--       5.896                -11.523                 17.653
 Raman3 Fr= 1--       7.229                  4.836                  4.493
 ROA3   Fr= 1--     111.309               -106.450                190.773
 CID3   Fr= 1--      15.399                -22.010                 42.462
 RC180  Fr= 1--      -0.418                  0.402                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.07  -0.02    -0.08  -0.17  -0.01     0.02   0.04  -0.09
     2   6    -0.01   0.07   0.00    -0.10  -0.16  -0.01     0.01   0.05  -0.10
     3   6     0.06   0.02  -0.03    -0.10  -0.01   0.02     0.05  -0.03   0.13
     4   6     0.05  -0.02   0.01     0.04   0.12   0.04     0.03  -0.06   0.24
     5   6    -0.02   0.00  -0.00     0.04   0.11   0.03     0.01  -0.06   0.19
     6   6    -0.03   0.06  -0.01     0.05  -0.05  -0.05    -0.04   0.02  -0.21
     7   6    -0.04   0.03  -0.00    -0.01  -0.11  -0.02    -0.00   0.03  -0.13
     8   1     0.09   0.01  -0.03    -0.28   0.05   0.04     0.11  -0.05   0.11
     9   1    -0.05  -0.03  -0.01     0.09   0.15   0.04    -0.02  -0.09   0.27
    10   1    -0.06   0.07  -0.01     0.22  -0.11  -0.10    -0.11   0.04  -0.40
    11   6     0.10  -0.12  -0.02     0.10   0.10  -0.02     0.01   0.02   0.02
    12   6    -0.08   0.08  -0.19     0.02  -0.02  -0.02     0.07   0.00   0.08
    13   6     0.12  -0.10   0.03     0.10   0.02  -0.02     0.02   0.04  -0.07
    14   1     0.14  -0.12   0.07     0.15   0.10  -0.05    -0.06   0.03  -0.01
    15   1    -0.14   0.31  -0.44     0.03  -0.07  -0.09     0.08  -0.03   0.21
    16   1    -0.38   0.07  -0.02    -0.00  -0.09  -0.04     0.19  -0.00   0.00
    17   1     0.11   0.07  -0.29    -0.03  -0.02   0.10     0.06   0.00   0.10
    18   8     0.16  -0.04   0.25     0.07  -0.07   0.09    -0.01  -0.02  -0.08
    19   8    -0.02   0.05  -0.06    -0.02  -0.02  -0.09    -0.11   0.02  -0.16
    20   1    -0.02  -0.02  -0.21     0.02   0.06  -0.17    -0.08   0.06  -0.28
    21   6    -0.04  -0.01   0.02    -0.03   0.04   0.02     0.01   0.00   0.10
    22   6    -0.06  -0.02   0.02    -0.08   0.07   0.04     0.01  -0.00   0.16
    23   6    -0.01   0.03   0.03    -0.14  -0.03   0.05     0.04   0.03   0.16
    24   8    -0.06  -0.05  -0.02    -0.09   0.13  -0.01    -0.01  -0.04  -0.12
    25   6    -0.10  -0.05   0.01     0.17   0.03  -0.02    -0.06  -0.03  -0.01
    26   1    -0.10   0.05  -0.00     0.10  -0.15  -0.05    -0.04   0.04  -0.24
    27   1    -0.04  -0.01   0.04     0.04   0.10   0.02     0.01   0.01   0.10
    28   1     0.04   0.01   0.03    -0.24   0.00   0.06     0.06   0.02   0.17
    29   1    -0.18  -0.05  -0.01     0.29   0.11  -0.03    -0.20  -0.07  -0.02
    30   1    -0.09  -0.01   0.07     0.15  -0.24   0.01    -0.04   0.02   0.14
    31   1    -0.07  -0.06  -0.02     0.34   0.12  -0.04     0.03  -0.02  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.4210               453.9502               488.1798
 Red. masses --      3.3123                 5.0447                 2.5703
 Frc consts  --      0.3336                 0.6125                 0.3609
 IR Inten    --      0.0466                 9.4810                13.2523
 RamAct Fr= 1--      2.6381                 4.2424                 0.3152
  Dep-P Fr= 1--      0.7424                 0.0976                 0.6678
  Dep-U Fr= 1--      0.8521                 0.1778                 0.8008
 Alpha2 Fr= 1--      0.0003                 0.0747                 0.0005
 Beta2  Fr= 1--      0.3747                 0.1257                 0.0421
 AlphaG Fr= 1--      0.0095                -0.1484                -0.0040
 Gamma2 Fr= 1--      0.4683                -1.2973                -0.1658
 Delta2 Fr= 1--      0.0211                -0.4542                -0.0086
 Raman1 Fr= 1--      10.552                 16.970                  1.261
 ROA1   Fr= 1--      45.629               -139.071                -16.191
 CID1   Fr= 1--       4.324                 -8.195                -12.844
 Raman2 Fr= 1--       4.496                  1.509                  0.505
 ROA2   Fr= 1--      11.069                -27.500                 -3.911
 CID2   Fr= 1--       2.462                -18.230                 -7.748
 Raman3 Fr= 1--       8.992                  3.017                  1.010
 ROA3   Fr= 1--      45.629               -139.071                -16.191
 CID3   Fr= 1--       5.074                -46.094                -16.038
 RC180  Fr= 1--       0.704                 -0.644                  0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.08    -0.11   0.05   0.00     0.02  -0.00   0.21
     2   6    -0.00   0.00  -0.04    -0.03  -0.00  -0.02     0.01  -0.00   0.18
     3   6    -0.01   0.00  -0.17    -0.13   0.09   0.04    -0.01   0.01  -0.11
     4   6     0.00  -0.01   0.02    -0.13   0.06   0.03     0.00   0.00   0.03
     5   6     0.01  -0.01   0.14    -0.10   0.07   0.05     0.00   0.00   0.07
     6   6    -0.02   0.00  -0.17    -0.07   0.02  -0.02    -0.01   0.00  -0.11
     7   6     0.02  -0.00   0.24    -0.11   0.04   0.00    -0.01   0.00  -0.10
     8   1    -0.03   0.00  -0.39    -0.15   0.10   0.05    -0.04   0.01  -0.44
     9   1     0.02  -0.01   0.29    -0.06   0.11   0.07    -0.00   0.00  -0.00
    10   1    -0.04   0.01  -0.34    -0.08   0.02  -0.03    -0.04   0.01  -0.42
    11   6     0.00   0.00   0.00    -0.07  -0.16  -0.01     0.00  -0.00  -0.02
    12   6     0.00   0.00   0.00     0.07   0.01  -0.01     0.01  -0.00  -0.03
    13   6     0.00   0.01  -0.00    -0.01  -0.14  -0.03    -0.01   0.01   0.01
    14   1    -0.00   0.00  -0.00     0.04  -0.17   0.09    -0.00  -0.00  -0.04
    15   1     0.00   0.00   0.00     0.03   0.18   0.17     0.01   0.01  -0.03
    16   1     0.00   0.00   0.00     0.13   0.04  -0.03     0.01   0.01  -0.03
    17   1    -0.00   0.00   0.00     0.25   0.00  -0.15     0.02  -0.00  -0.05
    18   8    -0.00  -0.00  -0.00     0.06   0.02   0.03    -0.01   0.00   0.01
    19   8    -0.00  -0.01  -0.00     0.02   0.06  -0.05     0.01  -0.02   0.02
    20   1     0.01   0.03  -0.00    -0.05  -0.18  -0.11     0.03   0.08   0.06
    21   6    -0.02   0.01  -0.20    -0.02  -0.12   0.00     0.00  -0.01   0.05
    22   6    -0.01   0.00  -0.09     0.14  -0.14   0.00     0.01  -0.01   0.08
    23   6     0.01   0.00   0.12     0.05  -0.18   0.01    -0.01  -0.00  -0.12
    24   8     0.00  -0.00   0.05     0.18   0.08  -0.02     0.00   0.00  -0.01
    25   6    -0.00  -0.00   0.00     0.14   0.17  -0.01     0.01   0.01   0.00
    26   1     0.04  -0.01   0.46    -0.17   0.06   0.01    -0.05   0.01  -0.46
    27   1    -0.03   0.01  -0.32    -0.19  -0.29   0.01    -0.02  -0.01  -0.13
    28   1     0.03  -0.00   0.34     0.11  -0.20   0.02    -0.04   0.00  -0.48
    29   1    -0.00   0.04  -0.02     0.12   0.15  -0.01     0.03  -0.02   0.02
    30   1    -0.00  -0.00   0.01     0.14   0.19   0.00     0.00   0.00  -0.04
    31   1    -0.01  -0.04  -0.02     0.14   0.15  -0.01    -0.01   0.03   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    498.2907               523.3692               533.2672
 Red. masses --      4.1577                 3.1269                 6.1066
 Frc consts  --      0.6082                 0.5046                 1.0231
 IR Inten    --      4.6455                20.6556                 5.4097
 RamAct Fr= 1--      3.6189                 1.4131                17.7135
  Dep-P Fr= 1--      0.6565                 0.7247                 0.2254
  Dep-U Fr= 1--      0.7926                 0.8404                 0.3678
 Alpha2 Fr= 1--      0.0061                 0.0006                 0.2247
 Beta2  Fr= 1--      0.4781                 0.1979                 1.0859
 AlphaG Fr= 1--      0.0073                 0.0257                -0.0616
 Gamma2 Fr= 1--     -1.3909                 2.4794                -1.5479
 Delta2 Fr= 1--     -0.7483                 0.1267                -0.0830
 Raman1 Fr= 1--      14.475                  5.652                 70.854
 ROA1   Fr= 1--    -157.473                242.077               -151.252
 CID1   Fr= 1--     -10.879                 42.828                 -2.135
 Raman2 Fr= 1--       5.737                  2.375                 13.031
 ROA2   Fr= 1--     -27.396                 58.493                -36.484
 CID2   Fr= 1--      -4.775                 24.629                 -2.800
 Raman3 Fr= 1--      11.474                  4.750                 26.062
 ROA3   Fr= 1--    -157.473                242.077               -151.252
 CID3   Fr= 1--     -13.725                 50.964                 -5.804
 RC180  Fr= 1--       0.585                  0.681                 -0.264
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03   0.02    -0.03   0.07  -0.01    -0.18  -0.01   0.02
     2   6     0.00   0.02   0.11    -0.02   0.07  -0.03     0.09  -0.10  -0.04
     3   6    -0.03  -0.04  -0.12     0.02  -0.09   0.03    -0.18  -0.08   0.04
     4   6    -0.02  -0.05   0.03     0.03  -0.09  -0.02    -0.07  -0.03  -0.02
     5   6    -0.04  -0.06  -0.12    -0.01  -0.09   0.00     0.16  -0.10   0.00
     6   6    -0.04  -0.00   0.07    -0.04   0.05   0.00     0.16  -0.14  -0.03
     7   6    -0.02   0.05   0.03    -0.09   0.05   0.01    -0.17   0.12   0.01
     8   1    -0.00  -0.05  -0.21     0.10  -0.11   0.04    -0.17  -0.08   0.05
     9   1    -0.09  -0.08  -0.26    -0.09  -0.17   0.05     0.27  -0.01   0.04
    10   1    -0.10   0.02   0.04    -0.14   0.08   0.06     0.16  -0.14  -0.01
    11   6    -0.01   0.11   0.13     0.04   0.14  -0.08    -0.05   0.01  -0.06
    12   6    -0.10   0.03   0.23     0.01  -0.01  -0.08     0.03  -0.02  -0.05
    13   6     0.14   0.02  -0.04     0.06   0.18   0.01     0.02   0.00  -0.01
    14   1    -0.10   0.12   0.17    -0.14   0.16  -0.24    -0.05   0.01  -0.09
    15   1    -0.07  -0.10   0.19     0.03  -0.11  -0.15     0.03   0.01   0.03
    16   1    -0.06  -0.07   0.16     0.01  -0.05  -0.10     0.09  -0.04  -0.10
    17   1    -0.20   0.02   0.42    -0.10  -0.01   0.04     0.07  -0.02  -0.05
    18   8     0.12  -0.08   0.01    -0.03  -0.04   0.08     0.02  -0.02   0.09
    19   8    -0.06   0.02  -0.20     0.03  -0.12   0.04     0.05  -0.03   0.00
    20   1     0.02   0.17  -0.42     0.24   0.56   0.18     0.07   0.05   0.06
    21   6    -0.01   0.01  -0.01    -0.05  -0.09   0.00    -0.20   0.26   0.02
    22   6     0.04  -0.01  -0.08     0.01  -0.08   0.01     0.10   0.14   0.02
    23   6     0.02  -0.01  -0.06     0.01  -0.07   0.01     0.09   0.12   0.00
    24   8     0.07  -0.02   0.03     0.01   0.06  -0.01     0.16  -0.10  -0.02
    25   6    -0.00   0.01   0.00     0.06   0.07  -0.00    -0.06  -0.01   0.00
    26   1    -0.02   0.05   0.07    -0.19   0.08   0.03    -0.01   0.07  -0.03
    27   1    -0.05  -0.04   0.06    -0.14  -0.18   0.01    -0.27   0.19  -0.00
    28   1     0.02  -0.01  -0.10     0.11  -0.10   0.04    -0.14   0.19   0.02
    29   1    -0.01  -0.00   0.01     0.10   0.09  -0.01    -0.21  -0.10   0.01
    30   1    -0.00   0.09  -0.03     0.06  -0.00   0.00    -0.03   0.27   0.01
    31   1    -0.07  -0.02   0.01     0.11   0.09  -0.01    -0.20  -0.09   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    541.2006               580.8898               602.8317
 Red. masses --      4.3388                 1.3160                 2.7651
 Frc consts  --      0.7488                 0.2616                 0.5920
 IR Inten    --      6.1101                55.5290                 1.3165
 RamAct Fr= 1--      3.0325                 1.8826                 2.8597
  Dep-P Fr= 1--      0.6685                 0.4817                 0.5103
  Dep-U Fr= 1--      0.8013                 0.6502                 0.6758
 Alpha2 Fr= 1--      0.0044                 0.0101                 0.0134
 Beta2  Fr= 1--      0.4050                 0.2040                 0.3221
 AlphaG Fr= 1--      0.0193                 0.1215                -0.0016
 Gamma2 Fr= 1--      1.2692                 1.6270                -0.3620
 Delta2 Fr= 1--      0.2247                 0.2888                -0.0505
 Raman1 Fr= 1--      12.130                  7.530                 11.439
 ROA1   Fr= 1--     129.038                165.431                -36.369
 CID1   Fr= 1--      10.638                 21.968                 -3.179
 Raman2 Fr= 1--       4.860                  2.448                  3.865
 ROA2   Fr= 1--      28.664                 36.736                 -8.284
 CID2   Fr= 1--       5.898                 15.006                 -2.143
 Raman3 Fr= 1--       9.720                  4.896                  7.730
 ROA3   Fr= 1--     129.038                165.431                -36.369
 CID3   Fr= 1--      13.275                 33.787                 -4.705
 RC180  Fr= 1--       0.603                  0.300                  0.352
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07   0.00     0.01  -0.00  -0.01     0.02   0.00   0.10
     2   6     0.11   0.04   0.02     0.03  -0.01   0.00    -0.00   0.01  -0.16
     3   6     0.05  -0.05  -0.03     0.01   0.04   0.00     0.01   0.00   0.01
     4   6     0.06  -0.08   0.01    -0.02   0.02   0.02    -0.02  -0.00  -0.20
     5   6     0.20  -0.10  -0.03     0.01   0.02  -0.01     0.01  -0.01   0.01
     6   6     0.17   0.01  -0.01     0.03  -0.02   0.00     0.00  -0.00  -0.01
     7   6    -0.17  -0.01   0.02    -0.00  -0.03  -0.00     0.01  -0.01   0.05
     8   1     0.17  -0.08  -0.06     0.00   0.04  -0.02     0.04  -0.00   0.19
     9   1     0.20  -0.10  -0.07     0.05   0.05  -0.03     0.04  -0.02   0.41
    10   1     0.11   0.03  -0.03     0.05  -0.03   0.00     0.02  -0.01   0.36
    11   6     0.02  -0.08   0.07    -0.03  -0.09   0.03    -0.02   0.02   0.03
    12   6    -0.02  -0.00   0.05    -0.00  -0.00   0.01    -0.05   0.02   0.08
    13   6    -0.04  -0.07   0.01    -0.02  -0.05  -0.00     0.01  -0.05  -0.01
    14   1     0.05  -0.08   0.15     0.03  -0.09   0.04    -0.02   0.01   0.11
    15   1    -0.03   0.02   0.01    -0.02   0.07   0.06    -0.04  -0.02   0.04
    16   1    -0.07   0.05   0.11    -0.00   0.05   0.04    -0.07  -0.03   0.07
    17   1    -0.02   0.00  -0.02     0.06   0.00  -0.08    -0.09   0.02   0.15
    18   8    -0.01   0.03  -0.09     0.02   0.04  -0.02     0.04   0.00   0.01
    19   8    -0.04   0.07   0.00    -0.03  -0.04  -0.02     0.01   0.01  -0.03
    20   1    -0.18  -0.38  -0.09     0.29   0.92   0.02     0.05   0.11  -0.06
    21   6    -0.17  -0.07   0.01    -0.01  -0.00   0.00     0.00  -0.01  -0.06
    22   6    -0.09  -0.04  -0.01    -0.01   0.01  -0.02     0.01  -0.01   0.24
    23   6     0.04   0.01  -0.01     0.01   0.02   0.00     0.01   0.01  -0.02
    24   8    -0.14   0.14   0.02    -0.02   0.01   0.01    -0.02   0.01  -0.05
    25   6     0.08   0.08  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.30   0.03   0.04     0.00  -0.03   0.02    -0.03   0.00  -0.25
    27   1    -0.21  -0.11   0.03     0.01   0.02   0.04    -0.03   0.01  -0.54
    28   1     0.14  -0.02  -0.03     0.01   0.02   0.02    -0.00   0.01  -0.26
    29   1     0.23   0.16  -0.01     0.01   0.01  -0.00    -0.01  -0.02   0.01
    30   1     0.05  -0.20  -0.01    -0.00  -0.03  -0.00    -0.00  -0.03   0.02
    31   1     0.22   0.16  -0.02     0.01   0.00  -0.00     0.04   0.04   0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --    641.7999               682.4313               694.9994
 Red. masses --      5.1592                 5.2859                 3.7677
 Frc consts  --      1.2521                 1.4504                 1.0723
 IR Inten    --      1.3005                 3.6626                 9.0598
 RamAct Fr= 1--      1.1059                 1.4017                 0.1206
  Dep-P Fr= 1--      0.6388                 0.1314                 0.3363
  Dep-U Fr= 1--      0.7796                 0.2323                 0.5034
 Alpha2 Fr= 1--      0.0022                 0.0227                 0.0011
 Beta2  Fr= 1--      0.1437                 0.0543                 0.0101
 AlphaG Fr= 1--     -0.0201                -0.0324                 0.0063
 Gamma2 Fr= 1--      0.2273                -0.1629                -0.4570
 Delta2 Fr= 1--     -0.2653                -0.0145                -0.3517
 Raman1 Fr= 1--       4.423                  5.607                  0.482
 ROA1   Fr= 1--      13.333                -16.097                -55.125
 CID1   Fr= 1--       3.014                 -2.871               -114.255
 Raman2 Fr= 1--       1.724                  0.651                  0.121
 ROA2   Fr= 1--       7.578                 -3.793                 -8.155
 CID2   Fr= 1--       4.395                 -5.823                -67.154
 Raman3 Fr= 1--       3.448                  1.303                  0.243
 ROA3   Fr= 1--      13.333                -16.097                -55.125
 CID3   Fr= 1--       3.867                -12.356               -226.979
 RC180  Fr= 1--       0.559                 -0.535                  0.007
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.03  -0.01    -0.06   0.02   0.07    -0.04   0.02  -0.11
     2   6     0.16   0.00   0.00    -0.06   0.03   0.04    -0.02   0.01  -0.03
     3   6     0.05   0.18   0.02    -0.07  -0.14   0.06    -0.06  -0.04  -0.06
     4   6    -0.15   0.02   0.01    -0.01  -0.03  -0.16    -0.00  -0.02   0.25
     5   6    -0.04  -0.05   0.02     0.16   0.00   0.06     0.08   0.01  -0.09
     6   6    -0.00  -0.18  -0.02     0.10   0.18  -0.09     0.08   0.08   0.10
     7   6     0.01  -0.12  -0.02     0.10   0.18  -0.10     0.08   0.10   0.12
     8   1     0.12   0.15  -0.02    -0.05  -0.14   0.13    -0.06  -0.05  -0.22
     9   1     0.10   0.09  -0.03     0.12  -0.05   0.28     0.05   0.02  -0.49
    10   1    -0.07  -0.15  -0.07     0.12   0.18  -0.09     0.09   0.07  -0.02
    11   6    -0.21   0.05  -0.10    -0.11   0.01  -0.04    -0.08  -0.04  -0.03
    12   6    -0.04   0.02   0.04    -0.05   0.02   0.07     0.01  -0.02  -0.03
    13   6    -0.00   0.04  -0.11    -0.09  -0.13  -0.09    -0.03   0.02  -0.05
    14   1    -0.29   0.06  -0.13    -0.06  -0.00   0.12    -0.08  -0.04  -0.09
    15   1    -0.03   0.06   0.35    -0.05   0.02   0.20    -0.01   0.08   0.19
    16   1     0.21  -0.10  -0.17     0.05  -0.08  -0.04     0.13   0.01  -0.09
    17   1     0.09   0.00   0.14    -0.02   0.01   0.18     0.15  -0.02  -0.11
    18   8    -0.02  -0.03   0.20    -0.01   0.05   0.11    -0.04   0.01   0.06
    19   8     0.15  -0.05  -0.09     0.10  -0.01  -0.07     0.05  -0.02  -0.04
    20   1     0.04  -0.28   0.13     0.10   0.08   0.13     0.03  -0.03   0.10
    21   6    -0.00  -0.07   0.01     0.15   0.01   0.06     0.08   0.01  -0.10
    22   6    -0.05  -0.00  -0.04    -0.02  -0.03  -0.16     0.01  -0.02   0.20
    23   6     0.12   0.11   0.00    -0.08  -0.12   0.05    -0.04  -0.07  -0.06
    24   8    -0.11   0.06   0.02    -0.07   0.01   0.03    -0.06   0.02  -0.02
    25   6    -0.01   0.00   0.00    -0.03  -0.06   0.00    -0.02  -0.04  -0.00
    26   1    -0.05  -0.10   0.03     0.13   0.17  -0.05     0.09   0.10   0.11
    27   1     0.08  -0.00   0.10     0.14  -0.03   0.35     0.04  -0.00  -0.41
    28   1     0.21   0.08   0.05    -0.03  -0.14   0.26    -0.04  -0.07  -0.31
    29   1     0.08   0.05  -0.00     0.03  -0.01  -0.01     0.01  -0.04   0.00
    30   1    -0.02  -0.14  -0.00    -0.03  -0.13  -0.00    -0.02  -0.10   0.00
    31   1     0.07   0.04  -0.01     0.01  -0.05  -0.01     0.03   0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    748.6629               781.5258               791.4097
 Red. masses --      5.7687                 2.6690                 3.3700
 Frc consts  --      1.9050                 0.9605                 1.2436
 IR Inten    --      6.7702                 0.7127                 0.5641
 RamAct Fr= 1--     38.6203                 6.2554                22.2461
  Dep-P Fr= 1--      0.0615                 0.1089                 0.0958
  Dep-U Fr= 1--      0.1159                 0.1964                 0.1749
 Alpha2 Fr= 1--      0.7422                 0.1072                 0.3935
 Beta2  Fr= 1--      0.7459                 0.2048                 0.6484
 AlphaG Fr= 1--     -0.3071                -0.1029                 0.3097
 Gamma2 Fr= 1--     -1.6288                 0.7766                 1.3892
 Delta2 Fr= 1--      0.3055                 0.6808                 0.0009
 Raman1 Fr= 1--     154.481                 25.022                 88.984
 ROA1   Fr= 1--    -146.590                 96.342                133.394
 CID1   Fr= 1--      -0.949                  3.850                  1.499
 Raman2 Fr= 1--       8.951                  2.457                  7.781
 ROA2   Fr= 1--     -41.536                 13.192                 33.333
 CID2   Fr= 1--      -4.641                  5.369                  4.284
 Raman3 Fr= 1--      17.902                  4.914                 15.562
 ROA3   Fr= 1--    -146.590                 96.342                133.394
 CID3   Fr= 1--      -8.189                 19.604                  8.572
 RC180  Fr= 1--      -0.768                 -0.607                 -0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.11   0.06     0.01  -0.04   0.20    -0.02  -0.06  -0.09
     2   6     0.05  -0.07  -0.03    -0.02   0.03  -0.20     0.02   0.07   0.11
     3   6    -0.08   0.12   0.00    -0.02  -0.03  -0.04    -0.08  -0.07   0.02
     4   6    -0.13   0.02  -0.04    -0.00  -0.01   0.09    -0.06  -0.02  -0.08
     5   6     0.01  -0.05  -0.02     0.01   0.03  -0.09     0.05   0.05   0.03
     6   6     0.04  -0.20  -0.03     0.03   0.09   0.05     0.04   0.19  -0.06
     7   6     0.09   0.28  -0.02    -0.00  -0.07  -0.03     0.01  -0.15   0.00
     8   1    -0.02   0.10   0.05    -0.07  -0.02  -0.35    -0.10  -0.06   0.26
     9   1     0.21   0.11   0.15    -0.00   0.01  -0.02     0.03   0.02   0.20
    10   1     0.04  -0.21   0.12     0.05   0.09   0.28     0.02   0.20   0.01
    11   6    -0.03  -0.05   0.01    -0.05  -0.06  -0.00    -0.12  -0.10  -0.02
    12   6     0.02  -0.03  -0.05    -0.01  -0.01   0.01    -0.04  -0.02   0.01
    13   6     0.18   0.15   0.14     0.04   0.07   0.01     0.12   0.14   0.07
    14   1    -0.12  -0.03  -0.22    -0.09  -0.05  -0.12    -0.23  -0.08  -0.27
    15   1    -0.00   0.07  -0.00    -0.04   0.10   0.13    -0.08   0.18   0.25
    16   1     0.02   0.08   0.00     0.03   0.07   0.02     0.07   0.12   0.02
    17   1     0.09  -0.02  -0.22     0.10  -0.01  -0.14     0.17  -0.01  -0.23
    18   8     0.09  -0.10  -0.10    -0.00  -0.02  -0.00     0.05  -0.07  -0.03
    19   8    -0.13   0.01   0.10    -0.01  -0.01  -0.00    -0.05  -0.01   0.04
    20   1    -0.10  -0.06  -0.28    -0.02  -0.06  -0.03    -0.05  -0.07  -0.16
    21   6     0.14   0.01   0.02     0.00  -0.01   0.10     0.01  -0.03  -0.05
    22   6     0.01  -0.04  -0.04    -0.01   0.01  -0.08    -0.01   0.01   0.02
    23   6     0.01  -0.12   0.01     0.01   0.03  -0.00     0.04   0.08   0.02
    24   8    -0.15   0.06   0.02     0.02  -0.01  -0.00     0.02  -0.01   0.00
    25   6    -0.05  -0.07   0.00     0.01   0.01  -0.00     0.00   0.01   0.00
    26   1     0.07   0.29  -0.09    -0.01  -0.07  -0.39     0.08  -0.17   0.18
    27   1     0.04  -0.08   0.03     0.03   0.03  -0.15     0.12   0.06   0.11
    28   1     0.05  -0.14   0.08     0.07   0.02   0.59     0.06   0.08  -0.39
    29   1     0.06  -0.01  -0.00    -0.01   0.01  -0.01    -0.00   0.00   0.00
    30   1    -0.06  -0.27   0.00     0.01   0.03   0.03     0.00   0.04  -0.02
    31   1     0.06  -0.02  -0.01    -0.01  -0.01  -0.01    -0.01   0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --    814.4460               827.9605               834.5613
 Red. masses --      2.7915                 1.4916                 1.7777
 Frc consts  --      1.0910                 0.6025                 0.7295
 IR Inten    --     13.6835                 9.1212                 9.6949
 RamAct Fr= 1--      3.2941                 0.5409                 0.6563
  Dep-P Fr= 1--      0.5935                 0.7143                 0.3633
  Dep-U Fr= 1--      0.7449                 0.8333                 0.5330
 Alpha2 Fr= 1--      0.0096                 0.0003                 0.0055
 Beta2  Fr= 1--      0.4090                 0.0751                 0.0583
 AlphaG Fr= 1--     -0.0182                 0.0022                -0.0811
 Gamma2 Fr= 1--      1.3308                -1.7150                 0.0928
 Delta2 Fr= 1--      0.3764                -0.5438                -0.1222
 Raman1 Fr= 1--      13.176                  2.164                  2.625
 ROA1   Fr= 1--     139.799               -182.047                  5.003
 CID1   Fr= 1--      10.610                -84.142                  1.906
 Raman2 Fr= 1--       4.907                  0.901                  0.700
 ROA2   Fr= 1--      28.928                -36.810                  3.206
 CID2   Fr= 1--       5.895                -40.834                  4.583
 Raman3 Fr= 1--       9.815                  1.803                  1.399
 ROA3   Fr= 1--     139.799               -182.047                  5.003
 CID3   Fr= 1--      14.243               -100.973                  3.576
 RC180  Fr= 1--       0.490                  0.667                  0.066
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02  -0.00    -0.01  -0.01   0.06     0.02   0.00   0.08
     2   6    -0.05  -0.06   0.05     0.01   0.02  -0.02    -0.02  -0.02  -0.06
     3   6     0.11   0.06  -0.03    -0.03  -0.01   0.01     0.04   0.02   0.03
     4   6     0.06  -0.01   0.02    -0.01   0.00   0.09     0.01  -0.00  -0.07
     5   6     0.00   0.04  -0.05    -0.01  -0.01  -0.09     0.01   0.01   0.04
     6   6     0.01  -0.03  -0.07    -0.01   0.00  -0.05     0.01  -0.00   0.06
     7   6    -0.03   0.05   0.01     0.00  -0.01  -0.06    -0.02   0.01  -0.09
     8   1     0.17   0.04   0.11    -0.07  -0.00  -0.30     0.05   0.02  -0.28
     9   1     0.06   0.05   0.39     0.02  -0.03   0.35    -0.01   0.02  -0.26
    10   1     0.16  -0.08   0.38     0.00   0.00   0.52     0.02  -0.01  -0.31
    11   6     0.04  -0.14   0.05     0.00   0.04  -0.01    -0.01  -0.04  -0.01
    12   6    -0.02  -0.02   0.08     0.02   0.00  -0.04    -0.02   0.00   0.04
    13   6    -0.01   0.16  -0.05    -0.01  -0.05  -0.00     0.02   0.04   0.01
    14   1    -0.00  -0.12  -0.14     0.03   0.04   0.08    -0.04  -0.03  -0.07
    15   1    -0.06   0.15   0.04     0.03  -0.05  -0.03    -0.04   0.05   0.05
    16   1    -0.14   0.22   0.28     0.05  -0.08  -0.10    -0.04   0.06   0.08
    17   1     0.07   0.01  -0.25    -0.02  -0.01   0.07     0.01   0.01  -0.05
    18   8    -0.10   0.00   0.04     0.01   0.01  -0.00    -0.00  -0.01   0.00
    19   8     0.07  -0.04  -0.09    -0.01   0.01   0.02     0.00  -0.01  -0.01
    20   1     0.02  -0.11   0.11    -0.01   0.01   0.00    -0.00  -0.02  -0.01
    21   6    -0.05   0.05   0.00     0.01  -0.01  -0.06    -0.03   0.02  -0.09
    22   6    -0.00   0.01  -0.04     0.00  -0.00   0.01     0.01   0.00   0.12
    23   6    -0.09  -0.08   0.05     0.03   0.02   0.06    -0.04  -0.02  -0.05
    24   8     0.04  -0.02   0.01    -0.01   0.01   0.00     0.01  -0.01  -0.03
    25   6     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.01  -0.00
    26   1    -0.06   0.06  -0.01     0.04  -0.02   0.34     0.02   0.00   0.55
    27   1    -0.09   0.01   0.05     0.06  -0.02   0.40     0.02  -0.00   0.53
    28   1    -0.22  -0.04  -0.30     0.02   0.02  -0.38    -0.06  -0.02   0.25
    29   1    -0.01  -0.01   0.00     0.01  -0.00   0.00    -0.01  -0.01  -0.00
    30   1     0.02   0.06  -0.02    -0.01  -0.02  -0.01     0.01   0.03   0.02
    31   1    -0.02  -0.01   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    867.9941               883.5904               915.1010
 Red. masses --      3.0791                 1.8318                 1.5449
 Frc consts  --      1.3668                 0.8426                 0.7623
 IR Inten    --      6.3848                34.2662                13.0548
 RamAct Fr= 1--     27.2028                 2.2457                 0.9680
  Dep-P Fr= 1--      0.0966                 0.4756                 0.2945
  Dep-U Fr= 1--      0.1762                 0.6446                 0.4550
 Alpha2 Fr= 1--      0.4802                 0.0124                 0.0101
 Beta2  Fr= 1--      0.7989                 0.2413                 0.0734
 AlphaG Fr= 1--      0.3325                -0.1300                -0.0272
 Gamma2 Fr= 1--      0.6785                -0.0019                -0.2614
 Delta2 Fr= 1--     -0.2833                 0.3617                -0.0050
 Raman1 Fr= 1--     108.811                  8.983                  3.872
 ROA1   Fr= 1--      56.065                 11.387                -25.258
 CID1   Fr= 1--       0.515                  1.268                 -6.523
 Raman2 Fr= 1--       9.587                  2.895                  0.881
 ROA2   Fr= 1--      18.550                 -2.940                 -6.235
 CID2   Fr= 1--       1.935                 -1.015                 -7.078
 Raman3 Fr= 1--      19.175                  5.790                  1.762
 ROA3   Fr= 1--      56.065                 11.387                -25.258
 CID3   Fr= 1--       2.924                  1.967                -14.336
 RC180  Fr= 1--      -0.648                  0.289                 -0.090
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03  -0.03     0.00   0.00  -0.05     0.01   0.00   0.09
     2   6    -0.08  -0.04  -0.01     0.00  -0.01   0.14    -0.01   0.00  -0.03
     3   6     0.16   0.08   0.01     0.01   0.01   0.00    -0.01   0.01  -0.17
     4   6     0.03  -0.03   0.02     0.00  -0.00   0.04     0.00  -0.00   0.07
     5   6     0.05  -0.01  -0.01     0.00  -0.00  -0.06     0.01  -0.01  -0.00
     6   6     0.03   0.01  -0.01    -0.00   0.00  -0.08     0.01   0.00   0.02
     7   6    -0.03  -0.01   0.02    -0.00  -0.00   0.02    -0.00  -0.00  -0.02
     8   1     0.31   0.03  -0.19     0.03   0.00   0.04     0.10  -0.01   0.90
     9   1     0.05  -0.00  -0.04     0.04  -0.01   0.45     0.01  -0.01  -0.02
    10   1     0.15  -0.02   0.06     0.03  -0.00   0.28    -0.01   0.01  -0.07
    11   6    -0.15   0.06  -0.10    -0.02   0.01  -0.00    -0.01   0.02   0.01
    12   6    -0.06   0.03  -0.03     0.00   0.00  -0.02     0.00  -0.00  -0.03
    13   6     0.04  -0.08   0.03     0.00  -0.01  -0.00    -0.00  -0.01  -0.01
    14   1    -0.23   0.06  -0.04    -0.03   0.01   0.02    -0.02   0.02   0.02
    15   1    -0.04   0.02   0.34     0.00  -0.01   0.04     0.01  -0.02   0.04
    16   1     0.27  -0.18  -0.34     0.05  -0.04  -0.07     0.06  -0.05  -0.09
    17   1     0.07  -0.00   0.20     0.01  -0.00   0.03     0.02  -0.01   0.02
    18   8     0.09  -0.02  -0.02     0.01  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.06   0.03   0.09    -0.01   0.00   0.01    -0.01   0.00   0.01
    20   1    -0.03   0.04  -0.09    -0.01  -0.00  -0.00     0.01   0.03   0.01
    21   6    -0.05   0.03   0.03    -0.01   0.00  -0.02    -0.00  -0.00  -0.04
    22   6    -0.03   0.02  -0.04     0.00   0.00   0.09    -0.00   0.00   0.02
    23   6    -0.15  -0.08   0.06    -0.03  -0.00  -0.17    -0.02  -0.00   0.01
    24   8     0.07  -0.05   0.00     0.01  -0.00  -0.02     0.01  -0.01  -0.01
    25   6     0.03   0.03  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.11   0.02  -0.08    -0.01  -0.00   0.04    -0.02  -0.00  -0.01
    27   1    -0.06   0.04  -0.11    -0.00   0.00  -0.00     0.03  -0.00   0.31
    28   1    -0.33  -0.02  -0.20     0.04  -0.02   0.79    -0.03   0.00   0.02
    29   1    -0.04  -0.01   0.00    -0.01   0.00  -0.00    -0.01  -0.00  -0.00
    30   1     0.05   0.15  -0.01     0.01   0.02   0.03     0.01   0.02   0.00
    31   1    -0.04  -0.01   0.01    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    949.1285               963.4878               974.7275
 Red. masses --      4.2768                 1.3055                 1.3530
 Frc consts  --      2.2700                 0.7140                 0.7574
 IR Inten    --     25.2590                 0.2282                 0.4546
 RamAct Fr= 1--      0.4779                 1.7664                 1.6710
  Dep-P Fr= 1--      0.7469                 0.7292                 0.4343
  Dep-U Fr= 1--      0.8551                 0.8434                 0.6056
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0109
 Beta2  Fr= 1--      0.0681                 0.2483                 0.1686
 AlphaG Fr= 1--     -0.0000                 0.0266                -0.1215
 Gamma2 Fr= 1--     -1.6019                -0.0124                -1.4767
 Delta2 Fr= 1--      0.6676                -0.1799                -0.2338
 Raman1 Fr= 1--       1.912                  7.066                  6.684
 ROA1   Fr= 1--    -132.422                 -6.950               -149.244
 CID1   Fr= 1--     -69.273                 -0.984                -22.328
 Raman2 Fr= 1--       0.817                  2.980                  2.024
 ROA2   Fr= 1--     -43.788                  1.140                -33.570
 CID2   Fr= 1--     -53.575                  0.383                -16.588
 Raman3 Fr= 1--       1.635                  5.959                  4.048
 ROA3   Fr= 1--    -132.422                 -6.950               -149.244
 CID3   Fr= 1--     -81.011                 -1.166                -36.872
 RC180  Fr= 1--       0.710                  0.687                  0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.07   0.00     0.00  -0.00   0.02     0.00  -0.01  -0.01
     2   6     0.09  -0.06  -0.00     0.00  -0.00   0.01     0.00  -0.00  -0.02
     3   6     0.08  -0.18  -0.03     0.00  -0.00  -0.03     0.01   0.01   0.02
     4   6     0.13  -0.02   0.01     0.00  -0.00   0.01    -0.01  -0.00   0.01
     5   6    -0.17   0.24   0.03    -0.00   0.00  -0.01    -0.01   0.00  -0.12
     6   6    -0.04  -0.01  -0.01     0.00   0.00   0.01     0.01   0.01   0.11
     7   6    -0.03   0.06   0.01    -0.01   0.00  -0.12     0.00  -0.01   0.02
     8   1     0.11  -0.19   0.08     0.02  -0.01   0.15     0.01   0.01  -0.06
     9   1    -0.26   0.17  -0.03     0.00   0.00   0.09     0.04  -0.02   0.69
    10   1     0.22  -0.08   0.08    -0.00   0.00  -0.06    -0.07   0.03  -0.67
    11   6    -0.04  -0.01  -0.08    -0.00   0.00   0.00    -0.01  -0.00   0.01
    12   6    -0.07   0.02   0.02     0.00  -0.00  -0.01     0.01   0.00  -0.02
    13   6     0.01  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.01  -0.00
    14   1    -0.13   0.00  -0.11    -0.01   0.00   0.01    -0.03  -0.00   0.05
    15   1    -0.08   0.09   0.31     0.00  -0.00   0.01     0.01  -0.02  -0.02
    16   1     0.13  -0.03  -0.13     0.01  -0.01  -0.02     0.01  -0.03  -0.03
    17   1     0.07   0.01   0.09     0.00  -0.00   0.01    -0.02  -0.00   0.03
    18   8     0.02  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.02   0.01   0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.02   0.01   0.03     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6    -0.12   0.16   0.00     0.01   0.00   0.10    -0.01   0.03  -0.01
    22   6     0.09  -0.04  -0.01     0.00  -0.00  -0.01     0.01  -0.00  -0.00
    23   6     0.17  -0.10  -0.02     0.00  -0.00  -0.00     0.01  -0.03   0.02
    24   8    -0.08   0.08   0.01    -0.00   0.00   0.01    -0.00   0.01   0.00
    25   6    -0.06  -0.06   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    26   1     0.16   0.01  -0.06     0.07  -0.02   0.73     0.03  -0.02  -0.09
    27   1    -0.24   0.04   0.09    -0.06   0.02  -0.64    -0.00   0.04   0.04
    28   1     0.32  -0.15  -0.01     0.01  -0.01  -0.01     0.02  -0.03  -0.07
    29   1     0.07   0.01   0.00     0.00   0.00   0.00     0.01  -0.00   0.00
    30   1    -0.08  -0.26   0.00    -0.00  -0.01  -0.00    -0.01  -0.02  -0.00
    31   1     0.07   0.01  -0.01     0.00  -0.00   0.00     0.01   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    982.3063              1012.6412              1061.8872
 Red. masses --      3.3120                 1.7481                 4.7693
 Frc consts  --      1.8829                 1.0561                 3.1686
 IR Inten    --      0.6264                 6.9001                53.3683
 RamAct Fr= 1--     17.0076                 4.4117                 3.3171
  Dep-P Fr= 1--      0.1259                 0.1857                 0.3415
  Dep-U Fr= 1--      0.2237                 0.3133                 0.5092
 Alpha2 Fr= 1--      0.2793                 0.0622                 0.0299
 Beta2  Fr= 1--      0.6340                 0.2304                 0.2815
 AlphaG Fr= 1--      0.0634                 0.0556                 0.0057
 Gamma2 Fr= 1--      1.3188                -1.0765                 0.2165
 Delta2 Fr= 1--      0.5291                -1.5137                 0.0258
 Raman1 Fr= 1--      68.030                 17.647                 13.268
 ROA1   Fr= 1--     143.539               -151.782                 21.607
 CID1   Fr= 1--       2.110                 -8.601                  1.629
 Raman2 Fr= 1--       7.608                  2.764                  3.378
 ROA2   Fr= 1--      27.420                -13.726                  4.989
 CID2   Fr= 1--       3.604                 -4.965                  1.477
 Raman3 Fr= 1--      15.216                  5.529                  6.756
 ROA3   Fr= 1--     143.539               -151.782                 21.607
 CID3   Fr= 1--       9.433                -27.453                  3.198
 RC180  Fr= 1--      -0.553                 -0.373                  0.018
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.00     0.02   0.01  -0.00    -0.02   0.01   0.00
     2   6    -0.02  -0.02  -0.00     0.01  -0.02  -0.00    -0.04  -0.04   0.00
     3   6    -0.01  -0.16  -0.00     0.01  -0.03   0.01     0.02   0.04  -0.00
     4   6     0.08   0.01   0.00    -0.05  -0.06  -0.02     0.01  -0.01  -0.00
     5   6    -0.04   0.14  -0.03    -0.02   0.10   0.02     0.01  -0.02  -0.00
     6   6     0.01  -0.13   0.03     0.03   0.01  -0.01     0.00   0.03   0.00
     7   6    -0.00   0.12   0.00    -0.01   0.01   0.00    -0.08  -0.06   0.01
     8   1    -0.01  -0.17   0.00     0.12  -0.07  -0.05     0.06   0.03   0.00
     9   1     0.07   0.21   0.21     0.04   0.17  -0.08    -0.05  -0.08   0.00
    10   1     0.25  -0.21  -0.20     0.22  -0.04   0.01     0.04   0.02  -0.00
    11   6     0.00   0.00  -0.05    -0.06  -0.06   0.11     0.00  -0.01  -0.01
    12   6    -0.05  -0.00   0.03     0.08   0.03  -0.10    -0.01   0.01   0.00
    13   6    -0.00  -0.02  -0.00     0.02   0.06   0.02     0.00   0.00  -0.00
    14   1     0.06   0.00  -0.15    -0.39  -0.04   0.47    -0.02  -0.01   0.02
    15   1    -0.07   0.12   0.22     0.15  -0.31  -0.33     0.00  -0.02   0.02
    16   1     0.06   0.06  -0.00    -0.02  -0.24  -0.18     0.01  -0.02  -0.03
    17   1     0.10  -0.01  -0.06    -0.20   0.02   0.27    -0.01   0.01   0.05
    18   8     0.01   0.00  -0.00    -0.02  -0.01   0.00    -0.00  -0.00  -0.00
    19   8    -0.01   0.00   0.02     0.01  -0.01  -0.03    -0.00  -0.00   0.00
    20   1    -0.01   0.00   0.02     0.01  -0.01  -0.02    -0.00   0.00   0.00
    21   6     0.08  -0.22  -0.01     0.00  -0.02  -0.00     0.03  -0.12  -0.01
    22   6    -0.07   0.01   0.00    -0.01   0.00   0.00     0.18   0.11  -0.01
    23   6    -0.02   0.22   0.01    -0.01   0.02   0.00    -0.03   0.06   0.00
    24   8     0.03  -0.05  -0.00     0.00  -0.01  -0.00     0.10   0.30  -0.00
    25   6     0.04   0.05  -0.00     0.01   0.01  -0.00    -0.11  -0.33   0.00
    26   1    -0.36   0.23   0.03    -0.07   0.03   0.00    -0.33   0.01   0.03
    27   1    -0.03  -0.33  -0.01     0.00  -0.02   0.00    -0.20  -0.35   0.01
    28   1    -0.15   0.26   0.00    -0.05   0.03   0.01    -0.43   0.18   0.04
    29   1    -0.03   0.01  -0.00    -0.00   0.00  -0.00    -0.12  -0.25  -0.02
    30   1     0.05   0.15  -0.00     0.01   0.02  -0.00    -0.09  -0.16   0.00
    31   1    -0.03   0.01   0.01    -0.00   0.00   0.00    -0.11  -0.25   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1089.0324              1103.9385              1151.3295
 Red. masses --      1.7766                 2.5878                 1.4719
 Frc consts  --      1.2414                 1.8581                 1.1496
 IR Inten    --     15.3404                10.1019                13.3744
 RamAct Fr= 1--      3.4521                 9.5796                 1.3810
  Dep-P Fr= 1--      0.1667                 0.3065                 0.6050
  Dep-U Fr= 1--      0.2857                 0.4692                 0.7539
 Alpha2 Fr= 1--      0.0511                 0.0964                 0.0037
 Beta2  Fr= 1--      0.1644                 0.7491                 0.1735
 AlphaG Fr= 1--     -0.0681                 0.0465                 0.0051
 Gamma2 Fr= 1--      1.0029                -0.6393                 0.5238
 Delta2 Fr= 1--     -0.0053                 1.1286                 1.6569
 Raman1 Fr= 1--      13.808                 38.319                  5.524
 ROA1   Fr= 1--      96.105                -25.262                103.302
 CID1   Fr= 1--       6.960                 -0.659                 18.701
 Raman2 Fr= 1--       1.973                  8.989                  2.082
 ROA2   Fr= 1--      24.111                -24.373                 -0.685
 CID2   Fr= 1--      12.222                 -2.711                 -0.329
 Raman3 Fr= 1--       3.946                 17.978                  4.164
 ROA3   Fr= 1--      96.105                -25.262                103.302
 CID3   Fr= 1--      24.357                 -1.405                 24.806
 RC180  Fr= 1--      -0.429                 -0.062                  0.508
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00     0.03   0.02  -0.00     0.00   0.08   0.00
     2   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.01   0.05  -0.00
     3   6     0.01   0.00   0.01     0.03  -0.05   0.00    -0.03  -0.06   0.00
     4   6     0.06   0.05  -0.05    -0.04  -0.01  -0.02    -0.02  -0.01  -0.00
     5   6     0.01  -0.05   0.01    -0.02   0.03   0.01     0.01   0.04   0.00
     6   6    -0.02  -0.02   0.00     0.00  -0.01  -0.00    -0.01  -0.06   0.00
     7   6     0.01   0.01  -0.00    -0.00  -0.02  -0.00    -0.05  -0.06   0.00
     8   1    -0.12   0.04  -0.05     0.24  -0.12  -0.06     0.10  -0.11  -0.02
     9   1    -0.04  -0.10  -0.03     0.04   0.09  -0.00     0.21   0.22  -0.01
    10   1    -0.12   0.01   0.00     0.08  -0.03  -0.01    -0.07  -0.04   0.00
    11   6     0.03  -0.01   0.13    -0.11   0.20   0.15     0.04  -0.01  -0.00
    12   6    -0.10  -0.02  -0.11     0.06  -0.15  -0.06    -0.02   0.01  -0.00
    13   6     0.00   0.06   0.07    -0.04  -0.08   0.11     0.00   0.01  -0.02
    14   1     0.27  -0.04   0.32    -0.09   0.20  -0.17     0.15  -0.02   0.04
    15   1    -0.09   0.07   0.49    -0.03   0.21  -0.14    -0.02   0.01   0.09
    16   1     0.37  -0.13  -0.45    -0.04   0.25   0.19     0.05  -0.01  -0.05
    17   1     0.29  -0.06   0.04     0.20  -0.12  -0.62     0.04  -0.00   0.03
    18   8    -0.04   0.01  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
    19   8     0.03  -0.01  -0.05     0.04   0.00  -0.07    -0.01   0.00   0.01
    20   1     0.03  -0.01  -0.06     0.07  -0.01  -0.27    -0.01   0.00   0.07
    21   6    -0.00  -0.00   0.00    -0.02   0.01   0.00     0.04   0.03  -0.00
    22   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.04  -0.00   0.00
    23   6     0.01   0.01  -0.00    -0.01  -0.02   0.00    -0.02  -0.07  -0.00
    24   8    -0.00  -0.00   0.00     0.01   0.02  -0.00     0.04   0.04  -0.00
    25   6    -0.00   0.00   0.00    -0.00  -0.02  -0.00     0.00  -0.04  -0.00
    26   1     0.04   0.00  -0.00    -0.05  -0.00   0.00    -0.41   0.05   0.04
    27   1    -0.05  -0.05   0.00     0.01   0.03   0.00     0.55   0.52  -0.03
    28   1     0.04  -0.00  -0.00    -0.01  -0.02   0.00     0.12  -0.11  -0.01
    29   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.04  -0.04  -0.01
    30   1    -0.00  -0.01   0.00    -0.00   0.00   0.00     0.02   0.09   0.00
    31   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.04  -0.04   0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1174.0385              1175.9684              1183.7967
 Red. masses --      1.2768                 2.2389                 1.3156
 Frc consts  --      1.0369                 1.8242                 1.0862
 IR Inten    --      0.8435                36.6029                 6.7018
 RamAct Fr= 1--      0.7283                31.4581                 3.1458
  Dep-P Fr= 1--      0.7410                 0.5091                 0.7209
  Dep-U Fr= 1--      0.8513                 0.6747                 0.8378
 Alpha2 Fr= 1--      0.0001                 0.1488                 0.0016
 Beta2  Fr= 1--      0.1033                 3.5373                 0.4393
 AlphaG Fr= 1--      0.0129                -0.0387                 0.0027
 Gamma2 Fr= 1--      0.1463                -7.6218                 0.2991
 Delta2 Fr= 1--     -0.0088                -1.9434                 0.2035
 Raman1 Fr= 1--       2.913                125.833                 12.583
 ROA1   Fr= 1--      13.765               -793.879                 35.225
 CID1   Fr= 1--       4.725                 -6.309                  2.799
 Raman2 Fr= 1--       1.240                 42.448                  5.271
 ROA2   Fr= 1--       3.581               -167.375                  5.549
 CID2   Fr= 1--       2.888                 -3.943                  1.053
 Raman3 Fr= 1--       2.480                 84.895                 10.543
 ROA3   Fr= 1--      13.765               -793.879                 35.225
 CID3   Fr= 1--       5.551                 -9.351                  3.341
 RC180  Fr= 1--       0.703                  0.349                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.04  -0.02  -0.00
     2   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.01   0.07   0.00
     3   6     0.00  -0.00  -0.00    -0.02   0.02  -0.01     0.01  -0.05  -0.00
     4   6    -0.00   0.00   0.00     0.07   0.00   0.02     0.01   0.02   0.01
     5   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.06   0.03  -0.01
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.06  -0.05   0.00
     7   6     0.00  -0.00   0.00    -0.02   0.01   0.00     0.02   0.00  -0.00
     8   1     0.00  -0.00  -0.00    -0.24   0.10   0.06    -0.06  -0.03   0.01
     9   1     0.00   0.00  -0.00    -0.11  -0.11   0.03     0.53   0.44  -0.03
    10   1     0.00  -0.00  -0.00     0.02  -0.01   0.00    -0.53   0.09   0.05
    11   6    -0.00   0.00   0.00    -0.00  -0.05  -0.10    -0.01  -0.02  -0.02
    12   6     0.00  -0.00  -0.00     0.00   0.07   0.02     0.01   0.02   0.01
    13   6     0.00   0.00  -0.00    -0.04  -0.04   0.25    -0.00  -0.00   0.03
    14   1     0.00  -0.00   0.00    -0.23  -0.02  -0.31    -0.06  -0.01  -0.03
    15   1    -0.00   0.00  -0.00     0.04  -0.10  -0.06     0.02  -0.04  -0.04
    16   1    -0.00   0.00   0.00    -0.05  -0.09  -0.04    -0.03  -0.03   0.00
    17   1     0.00  -0.00  -0.00    -0.14   0.06   0.21    -0.04   0.02   0.04
    18   8     0.00  -0.00   0.00    -0.06   0.03  -0.02    -0.00   0.00  -0.00
    19   8    -0.00   0.00   0.00     0.08  -0.02  -0.07     0.01  -0.00  -0.01
    20   1    -0.00  -0.00   0.00     0.16  -0.02  -0.65     0.02  -0.00  -0.07
    21   6     0.00  -0.00   0.00     0.02   0.00  -0.00    -0.03   0.01   0.00
    22   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.02  -0.02   0.00
    23   6     0.00   0.00   0.00     0.01  -0.01  -0.00    -0.04   0.00   0.00
    24   8    -0.01   0.00  -0.06     0.00   0.00  -0.00     0.02   0.02  -0.00
    25   6     0.01  -0.00   0.14    -0.00  -0.00   0.00     0.00  -0.03  -0.00
    26   1     0.00  -0.00  -0.00    -0.21   0.07   0.02     0.25  -0.07  -0.02
    27   1    -0.00  -0.00  -0.01     0.18   0.15  -0.01    -0.25  -0.19   0.02
    28   1    -0.00   0.00  -0.02     0.02  -0.01  -0.00     0.06  -0.03  -0.01
    29   1     0.17   0.62  -0.18     0.00   0.00  -0.00    -0.02  -0.02  -0.01
    30   1    -0.02   0.01  -0.28     0.00   0.01  -0.00     0.01   0.06   0.00
    31   1    -0.20  -0.62  -0.17     0.00   0.00   0.00    -0.02  -0.02   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1192.3048              1205.0676              1224.6997
 Red. masses --      1.4867                 1.5172                 1.7611
 Frc consts  --      1.2452                 1.2982                 1.5563
 IR Inten    --     16.3939                37.9711                63.2354
 RamAct Fr= 1--      2.3437                53.7963                15.1666
  Dep-P Fr= 1--      0.7360                 0.1742                 0.1938
  Dep-U Fr= 1--      0.8479                 0.2967                 0.3246
 Alpha2 Fr= 1--      0.0006                 0.7817                 0.2094
 Beta2  Fr= 1--      0.3312                 2.6601                 0.8206
 AlphaG Fr= 1--     -0.0004                -0.0184                -0.0083
 Gamma2 Fr= 1--      3.6611                 1.4193                -0.3656
 Delta2 Fr= 1--     -1.0867                 1.9932                -0.0693
 Raman1 Fr= 1--       9.375                215.185                 60.666
 ROA1   Fr= 1--     316.692                200.039                -37.319
 CID1   Fr= 1--      33.782                  0.930                 -0.615
 Raman2 Fr= 1--       3.975                 31.922                  9.847
 ROA2   Fr= 1--      96.561                 18.119                 -8.220
 CID2   Fr= 1--      24.295                  0.568                 -0.835
 Raman3 Fr= 1--       7.949                 63.843                 19.694
 ROA3   Fr= 1--     316.692                200.039                -37.319
 CID3   Fr= 1--      39.840                  3.133                 -1.895
 RC180  Fr= 1--       0.696                 -0.407                 -0.351
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.04   0.01    -0.03   0.04   0.00     0.03  -0.00  -0.00
     2   6    -0.08   0.05   0.01     0.02  -0.02  -0.00     0.12  -0.06  -0.01
     3   6     0.02  -0.01  -0.00    -0.01  -0.02  -0.00    -0.03  -0.00   0.00
     4   6    -0.06   0.01   0.01    -0.10  -0.03   0.01    -0.05  -0.04   0.00
     5   6    -0.03  -0.02   0.00    -0.01   0.02   0.00    -0.02   0.03   0.00
     6   6     0.05  -0.03  -0.00     0.00   0.03   0.00    -0.00   0.06   0.00
     7   6     0.04  -0.03  -0.00     0.00  -0.04  -0.00    -0.01   0.01   0.00
     8   1     0.41  -0.13  -0.03     0.49  -0.18  -0.04     0.11  -0.05  -0.01
     9   1    -0.01  -0.00   0.01     0.12   0.15  -0.00    -0.07  -0.00   0.01
    10   1     0.38  -0.14  -0.04    -0.06   0.05   0.01    -0.23   0.13   0.02
    11   6     0.03  -0.01  -0.03     0.07  -0.00  -0.03     0.04   0.01  -0.00
    12   6    -0.01   0.03   0.01    -0.02   0.03   0.01    -0.02   0.01  -0.00
    13   6    -0.00   0.01   0.04    -0.01   0.00   0.05    -0.00  -0.00   0.02
    14   1     0.20  -0.03  -0.04     0.31  -0.02  -0.08     0.13   0.00  -0.05
    15   1     0.01  -0.03   0.01    -0.01  -0.02   0.05    -0.01   0.01   0.04
    16   1     0.01  -0.03  -0.03     0.04  -0.03  -0.06     0.04   0.00  -0.03
    17   1    -0.02   0.02   0.08     0.02   0.02   0.09     0.03   0.00   0.02
    18   8    -0.02   0.01  -0.00    -0.02   0.01  -0.01    -0.01   0.00  -0.00
    19   8     0.01  -0.01  -0.01     0.02  -0.01  -0.01     0.01  -0.00  -0.01
    20   1     0.03  -0.01  -0.12     0.03  -0.01  -0.12     0.01  -0.00  -0.02
    21   6    -0.03  -0.02   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    22   6    -0.05   0.02   0.00     0.08   0.02  -0.01     0.02   0.00  -0.00
    23   6     0.02  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.03  -0.00
    24   8     0.01   0.03   0.00    -0.01  -0.05  -0.00    -0.11   0.01   0.01
    25   6     0.04  -0.04  -0.00    -0.06   0.06   0.01     0.13  -0.01  -0.01
    26   1     0.42  -0.15  -0.04     0.10  -0.08  -0.01    -0.01   0.01   0.00
    27   1    -0.10  -0.09   0.01    -0.02  -0.05   0.00    -0.05  -0.05   0.00
    28   1     0.39  -0.12  -0.04    -0.40   0.13   0.04    -0.41   0.09   0.04
    29   1    -0.14  -0.08  -0.02     0.19   0.11   0.04    -0.35  -0.17  -0.05
    30   1     0.07   0.29   0.00    -0.11  -0.43  -0.00     0.18   0.55  -0.00
    31   1    -0.13  -0.08   0.04     0.19   0.11  -0.07    -0.34  -0.17   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1268.2530              1283.2225              1299.5873
 Red. masses --      3.6075                 1.5270                 1.6895
 Frc consts  --      3.4187                 1.4815                 1.6812
 IR Inten    --     92.4369                32.8616                56.7176
 RamAct Fr= 1--      5.7190                 5.9981                 5.7084
  Dep-P Fr= 1--      0.2629                 0.7179                 0.7269
  Dep-U Fr= 1--      0.4164                 0.8358                 0.8419
 Alpha2 Fr= 1--      0.0654                 0.0033                 0.0023
 Beta2  Fr= 1--      0.3969                 0.8355                 0.8009
 AlphaG Fr= 1--      0.0227                 0.0069                 0.0034
 Gamma2 Fr= 1--     -0.0949                -4.9484                12.5591
 Delta2 Fr= 1--     -0.3042                -0.4761                -0.2725
 Raman1 Fr= 1--      22.876                 23.992                 22.834
 ROA1   Fr= 1--     -18.848               -490.282               1196.950
 CID1   Fr= 1--      -0.824                -20.435                 52.421
 Raman2 Fr= 1--       4.762                 10.026                  9.611
 ROA2   Fr= 1--       0.155               -114.953                303.597
 CID2   Fr= 1--       0.033                -11.465                 31.587
 Raman3 Fr= 1--       9.525                 20.052                 19.223
 ROA3   Fr= 1--     -18.848               -490.282               1196.950
 CID3   Fr= 1--      -1.979                -24.450                 62.268
 RC180  Fr= 1--      -0.167                  0.672                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24  -0.08  -0.02     0.03  -0.06  -0.00    -0.00   0.10   0.00
     2   6     0.09  -0.02  -0.01    -0.02  -0.03   0.00     0.10   0.08  -0.01
     3   6    -0.07   0.01   0.01     0.03  -0.04  -0.01    -0.04  -0.03   0.00
     4   6    -0.19  -0.14   0.01    -0.00   0.07   0.01     0.06   0.02  -0.00
     5   6    -0.02   0.01   0.00     0.01  -0.02  -0.00    -0.02   0.02   0.00
     6   6     0.00   0.07   0.00    -0.00   0.01  -0.00     0.02  -0.06  -0.00
     7   6     0.01   0.07   0.00     0.01   0.02   0.00    -0.01  -0.02   0.00
     8   1    -0.30   0.07   0.02     0.13  -0.08   0.00    -0.17   0.01   0.02
     9   1    -0.03   0.01   0.01    -0.06  -0.07  -0.00    -0.20  -0.14   0.01
    10   1     0.44  -0.06  -0.04    -0.16   0.06   0.02     0.08  -0.08  -0.01
    11   6     0.10   0.03  -0.00    -0.14  -0.01  -0.05    -0.03   0.00  -0.04
    12   6    -0.03   0.01   0.00     0.05  -0.00   0.02     0.01  -0.03   0.01
    13   6    -0.01   0.00   0.00     0.03   0.05  -0.03     0.01   0.02  -0.04
    14   1     0.45   0.00  -0.09     0.65  -0.09   0.36    -0.02  -0.01   0.35
    15   1    -0.02   0.00   0.07     0.03   0.01  -0.13    -0.02   0.07   0.00
    16   1     0.09   0.01  -0.07    -0.10  -0.02   0.09    -0.03   0.05   0.08
    17   1     0.08   0.00   0.04    -0.13   0.01  -0.03    -0.02  -0.02  -0.06
    18   8    -0.02   0.01  -0.00    -0.02  -0.00   0.01    -0.02   0.00   0.01
    19   8     0.01  -0.00   0.01     0.01  -0.01   0.04     0.01  -0.01   0.04
    20   1     0.04   0.00  -0.17     0.07  -0.00  -0.40     0.06   0.01  -0.35
    21   6    -0.03   0.06   0.00    -0.00   0.01   0.00    -0.02  -0.01   0.00
    22   6    -0.15  -0.11   0.01     0.00   0.02  -0.00    -0.04  -0.07   0.00
    23   6    -0.11   0.04   0.01     0.01  -0.00  -0.00    -0.05  -0.02   0.00
    24   8     0.12   0.05  -0.01    -0.01  -0.01   0.00     0.04   0.02  -0.00
    25   6    -0.04  -0.05   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.00
    26   1    -0.06   0.11   0.01    -0.30   0.12   0.03     0.52  -0.19  -0.05
    27   1    -0.27  -0.14   0.02    -0.03  -0.02   0.00     0.09   0.10  -0.01
    28   1     0.22  -0.06  -0.02     0.11  -0.03  -0.01    -0.48   0.11   0.04
    29   1     0.13   0.07  -0.01    -0.01  -0.00  -0.00     0.03   0.02  -0.01
    30   1    -0.03   0.01   0.00     0.00   0.01  -0.00    -0.01  -0.02   0.00
    31   1     0.13   0.07  -0.01    -0.01  -0.00   0.00     0.03   0.02   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1300.7338              1310.2521              1340.6064
 Red. masses --      2.1450                 1.6817                 1.7868
 Frc consts  --      2.1382                 1.7011                 1.8921
 IR Inten    --    108.0492               120.2947               119.6299
 RamAct Fr= 1--      1.6276                 7.9293                 3.8137
  Dep-P Fr= 1--      0.7243                 0.6272                 0.7490
  Dep-U Fr= 1--      0.8401                 0.7709                 0.8565
 Alpha2 Fr= 1--      0.0007                 0.0177                 0.0001
 Beta2  Fr= 1--      0.2279                 1.0187                 0.5444
 AlphaG Fr= 1--     -0.0001                -0.0448                -0.0002
 Gamma2 Fr= 1--      3.0989                -8.7548                -0.1558
 Delta2 Fr= 1--     -0.3440                -0.4036                 1.3371
 Raman1 Fr= 1--       6.510                 31.717                 15.255
 ROA1   Fr= 1--     286.487               -853.374                 27.834
 CID1   Fr= 1--      44.005                -26.906                  1.825
 Raman2 Fr= 1--       2.735                 12.225                  6.533
 ROA2   Fr= 1--      77.126               -206.885                -14.435
 CID2   Fr= 1--      28.203                -16.924                 -2.210
 Raman3 Fr= 1--       5.469                 24.449                 13.066
 ROA3   Fr= 1--     286.487               -853.374                 27.834
 CID3   Fr= 1--      52.380                -34.904                  2.130
 RC180  Fr= 1--       0.680                  0.542                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.08   0.01     0.05   0.03  -0.00     0.01  -0.01  -0.00
     2   6     0.07  -0.12  -0.01     0.04   0.06  -0.00     0.00  -0.01   0.00
     3   6     0.01   0.05   0.00    -0.01  -0.06  -0.00    -0.01   0.02  -0.00
     4   6     0.03   0.02  -0.00     0.02   0.07   0.00    -0.01  -0.03   0.02
     5   6     0.02   0.03  -0.00    -0.01  -0.01  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.03   0.00     0.02  -0.04  -0.00    -0.01   0.01   0.00
     7   6    -0.04   0.09   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     8   1     0.56  -0.12  -0.05    -0.11  -0.04   0.01     0.02   0.01   0.04
     9   1    -0.20  -0.16   0.01    -0.16  -0.15   0.01     0.03   0.03   0.01
    10   1    -0.47   0.18   0.05     0.06  -0.05  -0.00     0.04  -0.00  -0.00
    11   6    -0.02  -0.01   0.02    -0.11  -0.02   0.03     0.02   0.03  -0.17
    12   6     0.01   0.01  -0.01     0.04   0.05  -0.01    -0.02  -0.06   0.05
    13   6    -0.00  -0.01   0.01    -0.00   0.01   0.09     0.00   0.02   0.15
    14   1    -0.06   0.00  -0.11     0.44  -0.06  -0.39    -0.07   0.02   0.77
    15   1     0.01  -0.01  -0.00     0.07  -0.10  -0.11    -0.07   0.15  -0.04
    16   1    -0.01  -0.02  -0.01    -0.07  -0.12  -0.04     0.03   0.11   0.09
    17   1    -0.02   0.01   0.02    -0.14   0.05   0.11     0.03  -0.04  -0.18
    18   8     0.01  -0.00  -0.00     0.04  -0.02  -0.02     0.02  -0.01  -0.03
    19   8    -0.01   0.00  -0.02    -0.02   0.01  -0.08    -0.01   0.00  -0.08
    20   1    -0.03   0.00   0.14    -0.12  -0.01   0.62    -0.08   0.01   0.48
    21   6     0.01  -0.02  -0.00    -0.02   0.01   0.00     0.00   0.00  -0.00
    22   6    -0.14  -0.10   0.01    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    23   6    -0.00   0.07   0.00    -0.03  -0.03   0.00    -0.00   0.01   0.00
    24   8     0.09   0.04  -0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
    25   6    -0.03  -0.04   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.25   0.00  -0.02     0.06  -0.03  -0.00    -0.01   0.00   0.00
    27   1     0.24   0.20  -0.02    -0.04  -0.01   0.00    -0.01  -0.01   0.00
    28   1     0.07   0.04  -0.01    -0.20   0.02   0.02     0.05  -0.01  -0.00
    29   1     0.10   0.06  -0.02     0.01   0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.01   0.06   0.00    -0.00  -0.02   0.00    -0.00   0.01   0.00
    31   1     0.10   0.06   0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1382.2804              1409.2473              1417.2823
 Red. masses --      1.8367                 4.9484                 1.3618
 Frc consts  --      2.0677                 5.7901                 1.6117
 IR Inten    --      7.9560                 3.9000                11.6619
 RamAct Fr= 1--     17.3679               678.0737                57.4760
  Dep-P Fr= 1--      0.2578                 0.2226                 0.1764
  Dep-U Fr= 1--      0.4100                 0.3642                 0.2999
 Alpha2 Fr= 1--      0.2013                 8.6657                 0.8304
 Beta2  Fr= 1--      1.1868                41.1598                 2.8728
 AlphaG Fr= 1--      0.1257                -1.7720                -0.1081
 Gamma2 Fr= 1--      1.6924                -5.7014                -0.7599
 Delta2 Fr= 1--     -0.3673                 2.1463                -0.0447
 Raman1 Fr= 1--      69.472               2712.295                229.904
 ROA1   Fr= 1--     150.711               -478.648                -74.385
 CID1   Fr= 1--       2.169                 -0.176                 -0.324
 Raman2 Fr= 1--      14.241                493.917                 34.473
 ROA2   Fr= 1--      43.555               -154.003                -17.881
 CID2   Fr= 1--       3.058                 -0.312                 -0.519
 Raman3 Fr= 1--      28.482                987.834                 68.947
 ROA3   Fr= 1--     150.711               -478.648                -74.385
 CID3   Fr= 1--       5.291                 -0.485                 -1.079
 RC180  Fr= 1--      -0.180                 -0.272                 -0.400
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.07  -0.00     0.09   0.28  -0.00    -0.00  -0.05  -0.00
     2   6     0.07   0.00  -0.01    -0.08  -0.28   0.00     0.01   0.05   0.00
     3   6    -0.09  -0.04   0.01    -0.16   0.06   0.02    -0.01   0.01   0.00
     4   6    -0.01   0.08   0.00     0.12  -0.18  -0.01    -0.00   0.01  -0.00
     5   6     0.01   0.04   0.00     0.17   0.10  -0.01     0.01  -0.01  -0.00
     6   6     0.06  -0.05  -0.01    -0.19   0.04   0.02    -0.01  -0.01   0.00
     7   6     0.06  -0.07  -0.01     0.03  -0.06  -0.00    -0.04   0.00   0.00
     8   1     0.24  -0.15  -0.02    -0.12   0.06   0.01     0.13  -0.03  -0.01
     9   1    -0.36  -0.30   0.02    -0.01  -0.08  -0.01     0.02   0.00  -0.01
    10   1    -0.33   0.07   0.03    -0.04  -0.02   0.01     0.11  -0.05  -0.01
    11   6     0.05  -0.02  -0.01    -0.08   0.01   0.01     0.00   0.00  -0.00
    12   6    -0.00  -0.01  -0.01     0.04  -0.01  -0.05     0.05  -0.04  -0.11
    13   6    -0.00  -0.01  -0.01     0.00   0.01   0.01    -0.01   0.00   0.01
    14   1    -0.31   0.02   0.04     0.40  -0.03  -0.04    -0.03   0.01   0.03
    15   1    -0.01   0.04   0.07     0.01   0.12   0.21     0.00   0.20   0.54
    16   1    -0.01   0.06   0.04    -0.20   0.04   0.12    -0.40   0.26   0.33
    17   1     0.01  -0.02   0.06    -0.19  -0.00   0.16    -0.23  -0.05   0.45
    18   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.00  -0.00
    19   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    20   1     0.01   0.00  -0.02    -0.00   0.01   0.01    -0.00  -0.00   0.02
    21   6     0.02   0.03  -0.00    -0.05  -0.05   0.00     0.03   0.03  -0.00
    22   6    -0.05   0.12   0.01    -0.00   0.07   0.00     0.04  -0.05  -0.00
    23   6    -0.07  -0.06   0.00     0.07   0.02  -0.01    -0.03   0.02   0.00
    24   8     0.02  -0.02  -0.00    -0.01  -0.01   0.00    -0.01   0.00   0.00
    25   6    -0.02  -0.00   0.00    -0.01   0.00   0.00     0.01   0.01  -0.00
    26   1    -0.27   0.03   0.02     0.35  -0.16  -0.03    -0.03  -0.00   0.00
    27   1    -0.33  -0.31   0.02     0.01   0.01  -0.00    -0.01  -0.01   0.00
    28   1     0.25  -0.17  -0.03     0.34  -0.06  -0.03     0.01   0.01  -0.00
    29   1     0.08   0.03   0.01     0.03   0.01   0.00    -0.04  -0.03   0.01
    30   1    -0.02   0.01   0.00    -0.00   0.03   0.00     0.01  -0.03  -0.00
    31   1     0.07   0.03  -0.03     0.02   0.01  -0.01    -0.04  -0.03  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1425.7671              1457.1558              1476.5356
 Red. masses --      2.9438                 3.4638                 1.2342
 Frc consts  --      3.5258                 4.3332                 1.5854
 IR Inten    --     72.5546                12.1027                 6.9391
 RamAct Fr= 1--     61.6045               138.1621                12.4330
  Dep-P Fr= 1--      0.1831                 0.2611                 0.5931
  Dep-U Fr= 1--      0.3096                 0.4140                 0.7446
 Alpha2 Fr= 1--      0.8745                 1.5872                 0.0363
 Beta2  Fr= 1--      3.1785                 9.5342                 1.5429
 AlphaG Fr= 1--      0.0378                 0.3536                -0.0163
 Gamma2 Fr= 1--     -0.2733                -1.3340                -1.9520
 Delta2 Fr= 1--     -3.4897                 0.7691                -0.6630
 Raman1 Fr= 1--     246.418                552.648                 49.732
 ROA1   Fr= 1--    -137.912               -103.452               -208.606
 CID1   Fr= 1--      -0.560                 -0.187                 -4.195
 Raman2 Fr= 1--      38.142                114.410                 18.514
 ROA2   Fr= 1--      21.357                -38.168                -41.543
 CID2   Fr= 1--       0.560                 -0.334                 -2.244
 Raman3 Fr= 1--      76.285                228.820                 37.029
 ROA3   Fr= 1--    -137.912               -103.452               -208.606
 CID3   Fr= 1--      -1.808                 -0.452                 -5.634
 RC180  Fr= 1--      -0.381                 -0.172                  0.489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.00     0.17   0.00  -0.01    -0.02  -0.00   0.00
     2   6     0.03   0.08  -0.00    -0.17  -0.01   0.01     0.00   0.02   0.00
     3   6    -0.11   0.06   0.01    -0.10  -0.06   0.01    -0.02   0.01   0.00
     4   6     0.08  -0.02  -0.01    -0.06   0.18   0.01     0.03   0.01  -0.00
     5   6     0.12   0.05  -0.01     0.11  -0.04  -0.01     0.01  -0.02  -0.00
     6   6    -0.12  -0.06   0.01    -0.08  -0.01   0.01    -0.04   0.01   0.00
     7   6    -0.13  -0.03   0.01     0.12   0.03  -0.01     0.01  -0.03  -0.00
     8   1     0.44  -0.11  -0.04     0.34  -0.21  -0.03     0.09  -0.02  -0.01
     9   1    -0.14  -0.21   0.01    -0.09  -0.24   0.00     0.08   0.04  -0.01
    10   1     0.24  -0.18  -0.02     0.12  -0.09  -0.01     0.14  -0.05  -0.01
    11   6    -0.03  -0.01   0.01     0.06  -0.04  -0.01    -0.01  -0.00   0.00
    12   6    -0.02   0.02   0.06    -0.01   0.00   0.01     0.00   0.00   0.00
    13   6     0.01  -0.00  -0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   1    -0.01  -0.01  -0.02    -0.39   0.01   0.03    -0.02  -0.00   0.00
    15   1    -0.01  -0.07  -0.29     0.00  -0.06  -0.02     0.01  -0.01   0.03
    16   1     0.21  -0.16  -0.18     0.03   0.05   0.01    -0.03  -0.06  -0.01
    17   1     0.07   0.03  -0.26     0.09  -0.01   0.02    -0.02   0.01  -0.05
    18   8    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   8    -0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1     0.01   0.01  -0.04     0.01   0.01  -0.01    -0.00   0.00   0.00
    21   6     0.13   0.09  -0.01    -0.15   0.02   0.01     0.04   0.04  -0.00
    22   6     0.13  -0.11  -0.01     0.01  -0.15  -0.00     0.01  -0.02  -0.00
    23   6    -0.13   0.08   0.01     0.13   0.03  -0.01     0.03  -0.01  -0.00
    24   8    -0.05  -0.01   0.00    -0.00   0.04   0.00    -0.03  -0.02   0.00
    25   6     0.03   0.03  -0.00     0.03  -0.00  -0.00    -0.04  -0.09   0.00
    26   1     0.03  -0.10  -0.01    -0.14   0.13   0.01    -0.12   0.01   0.01
    27   1    -0.09  -0.13   0.00     0.07   0.25   0.00    -0.10  -0.09   0.01
    28   1     0.28  -0.03  -0.02    -0.38   0.20   0.04    -0.15   0.05   0.01
    29   1    -0.13  -0.13   0.04    -0.14   0.03  -0.06     0.28   0.40  -0.18
    30   1     0.01  -0.12  -0.00     0.02  -0.12  -0.00     0.03   0.57   0.01
    31   1    -0.14  -0.13  -0.02    -0.13   0.02   0.09     0.31   0.39   0.14
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.1591              1493.3446              1497.8078
 Red. masses --      1.0516                 1.0460                 1.0545
 Frc consts  --      1.3795                 1.3744                 1.3938
 IR Inten    --      8.6376                 8.7664                 7.7006
 RamAct Fr= 1--      4.6360                 8.3908                 5.0425
  Dep-P Fr= 1--      0.7339                 0.7464                 0.6674
  Dep-U Fr= 1--      0.8465                 0.8548                 0.8005
 Alpha2 Fr= 1--      0.0013                 0.0005                 0.0074
 Beta2  Fr= 1--      0.6541                 1.1954                 0.6728
 AlphaG Fr= 1--      0.0004                -0.0230                 0.0581
 Gamma2 Fr= 1--      2.8114                 0.5558                 1.8257
 Delta2 Fr= 1--      0.0059                -0.0181                 1.8204
 Raman1 Fr= 1--      18.544                 33.563                 20.170
 ROA1   Fr= 1--     270.083                 52.779                233.519
 CID1   Fr= 1--      14.564                  1.573                 11.578
 Raman2 Fr= 1--       7.849                 14.344                  8.073
 ROA2   Fr= 1--      67.426                 13.485                 29.254
 CID2   Fr= 1--       8.591                  0.940                  3.623
 Raman3 Fr= 1--      15.698                 28.689                 16.147
 ROA3   Fr= 1--     270.083                 52.779                233.519
 CID3   Fr= 1--      17.205                  1.840                 14.462
 RC180  Fr= 1--       0.693                  0.710                  0.601
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
     5   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.00
     8   1    -0.02   0.01   0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
     9   1    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.02  -0.02   0.01
    10   1    -0.03   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02  -0.01   0.01    -0.00  -0.00   0.00    -0.03   0.01  -0.02
    12   6    -0.02  -0.04  -0.01    -0.00  -0.00  -0.00    -0.04   0.02  -0.02
    13   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1     0.04  -0.02  -0.06     0.00  -0.00  -0.00     0.04   0.00   0.04
    15   1    -0.10   0.26  -0.43    -0.00   0.00  -0.00     0.13  -0.61  -0.02
    16   1     0.46   0.52  -0.00     0.00   0.00  -0.00    -0.17   0.28   0.22
    17   1     0.02  -0.06   0.49    -0.00  -0.00   0.00     0.65  -0.05   0.14
    18   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00   0.00
    19   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.00
    22   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    23   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
    24   8    -0.01  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00   0.00
    25   6    -0.00  -0.01   0.00    -0.01   0.00  -0.06    -0.00  -0.00   0.00
    26   1     0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.02  -0.01  -0.00
    27   1     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    28   1     0.00   0.00   0.00    -0.00   0.00  -0.03     0.02  -0.01  -0.00
    29   1     0.02   0.05  -0.02     0.48   0.11   0.03     0.02   0.00   0.00
    30   1     0.00   0.06  -0.00     0.06  -0.01   0.72     0.00   0.03   0.00
    31   1     0.03   0.05   0.02    -0.46  -0.11   0.11     0.02   0.00  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.2828              1525.5170              1546.3047
 Red. masses --      1.0645                 2.3856                 3.4774
 Frc consts  --      1.4230                 3.2710                 4.8989
 IR Inten    --     35.7912                47.3994                33.5843
 RamAct Fr= 1--      1.7128               141.1894                 0.6380
  Dep-P Fr= 1--      0.6931                 0.2427                 0.7372
  Dep-U Fr= 1--      0.8187                 0.3906                 0.8487
 Alpha2 Fr= 1--      0.0017                 1.7078                 0.0001
 Beta2  Fr= 1--      0.2337                 9.1909                 0.0902
 AlphaG Fr= 1--     -0.0033                -0.1541                -0.0046
 Gamma2 Fr= 1--     -0.2784                -2.2666                -0.6840
 Delta2 Fr= 1--     -0.1195                 1.2263                 0.0505
 Raman1 Fr= 1--       6.851                564.758                  2.552
 ROA1   Fr= 1--     -30.552               -178.354                -64.049
 CID1   Fr= 1--      -4.459                 -0.316                -25.099
 Raman2 Fr= 1--       2.805                110.291                  1.083
 ROA2   Fr= 1--      -5.726                -64.210                -16.820
 CID2   Fr= 1--      -2.042                 -0.582                -15.532
 Raman3 Fr= 1--       5.609                220.582                  2.166
 ROA3   Fr= 1--     -30.552               -178.354                -64.049
 CID3   Fr= 1--      -5.447                 -0.809                -29.572
 RC180  Fr= 1--       0.637                 -0.219                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00     0.09  -0.02  -0.01     0.13  -0.04  -0.01
     2   6     0.00  -0.00  -0.00    -0.10   0.03   0.01     0.14  -0.06  -0.01
     3   6     0.01   0.01  -0.00     0.06  -0.04  -0.01    -0.06  -0.05   0.00
     4   6     0.00  -0.02  -0.00    -0.12  -0.01   0.01     0.03   0.18   0.00
     5   6    -0.00   0.01   0.00     0.06   0.09  -0.00    -0.05  -0.15   0.00
     6   6     0.02  -0.01  -0.00     0.10  -0.07  -0.01    -0.12   0.11   0.01
     7   6     0.00  -0.01  -0.00    -0.11   0.06   0.01    -0.12   0.10   0.01
     8   1    -0.03   0.02   0.00    -0.20   0.03   0.02     0.18  -0.13  -0.02
     9   1    -0.02  -0.00   0.00    -0.34  -0.26   0.02     0.33   0.18  -0.03
    10   1    -0.04   0.01   0.00    -0.36   0.06   0.03     0.40  -0.05  -0.03
    11   6    -0.00   0.00  -0.00     0.04   0.01  -0.01     0.01  -0.03   0.00
    12   6    -0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00  -0.01
    14   1     0.03   0.00   0.00     0.00   0.01   0.01    -0.19  -0.00   0.00
    15   1     0.01  -0.02   0.01     0.01   0.01   0.09    -0.01   0.02  -0.04
    16   1    -0.01  -0.00   0.01    -0.06  -0.09  -0.01     0.04   0.03  -0.01
    17   1     0.02  -0.00  -0.01    -0.04   0.01  -0.08    -0.01  -0.00   0.04
    18   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.01     0.00   0.01  -0.00
    21   6     0.01   0.01  -0.00    -0.04  -0.08   0.00    -0.03  -0.15  -0.00
    22   6    -0.01   0.00   0.00     0.15   0.02  -0.01     0.04   0.19   0.00
    23   6    -0.01   0.00   0.00    -0.06   0.04   0.01    -0.08  -0.05   0.01
    24   8     0.02  -0.01  -0.00    -0.05  -0.02   0.00    -0.00  -0.03  -0.00
    25   6     0.04  -0.03  -0.00    -0.02  -0.03   0.00    -0.01  -0.01   0.00
    26   1    -0.02  -0.00   0.00     0.35  -0.08  -0.03     0.40  -0.06  -0.03
    27   1    -0.03  -0.03   0.00     0.28   0.21  -0.02     0.27   0.12  -0.02
    28   1     0.04  -0.01  -0.00     0.22  -0.04  -0.02     0.24  -0.15  -0.02
    29   1    -0.39   0.40  -0.34     0.13   0.18  -0.08    -0.03   0.13  -0.08
    30   1    -0.01  -0.37  -0.01     0.01   0.26   0.01    -0.02  -0.04   0.00
    31   1    -0.32   0.39   0.42     0.14   0.18   0.07    -0.01   0.12   0.09
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1617.0717              1653.5329              1672.9576
 Red. masses --      7.0756                 5.6241                 6.1891
 Frc consts  --     10.9012                 9.0601                10.2057
 IR Inten    --      3.6891               116.7881                58.2518
 RamAct Fr= 1--     50.5657                 5.8470               191.2147
  Dep-P Fr= 1--      0.2086                 0.4004                 0.4377
  Dep-U Fr= 1--      0.3452                 0.5719                 0.6089
 Alpha2 Fr= 1--      0.6712                 0.0432                 1.2305
 Beta2  Fr= 1--      2.9091                 0.5573                19.4059
 AlphaG Fr= 1--     -0.4721                -0.0514                -0.4265
 Gamma2 Fr= 1--      0.4040                -0.1781                 1.2199
 Delta2 Fr= 1--      0.5962                 1.7962                -2.7147
 Raman1 Fr= 1--     202.263                 23.388                764.859
 ROA1   Fr= 1--      57.866                 40.382                 30.242
 CID1   Fr= 1--       0.286                  1.727                  0.040
 Raman2 Fr= 1--      34.909                  6.688                232.871
 ROA2   Fr= 1--       4.927                -18.644                 50.996
 CID2   Fr= 1--       0.141                 -2.788                  0.219
 Raman3 Fr= 1--      69.818                 13.375                465.742
 ROA3   Fr= 1--      57.866                 40.382                 30.242
 CID3   Fr= 1--       0.829                  3.019                  0.065
 RC180  Fr= 1--      -0.310                  0.144                  0.218
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.29  -0.00    -0.02  -0.01   0.00    -0.25   0.04   0.02
     2   6     0.04   0.29   0.00    -0.01  -0.01   0.00     0.24  -0.04  -0.02
     3   6    -0.12   0.16   0.01     0.21  -0.11  -0.02     0.22  -0.08  -0.02
     4   6     0.06  -0.22  -0.01    -0.20   0.10   0.02    -0.15   0.06   0.01
     5   6     0.16   0.16  -0.01     0.21   0.06  -0.02     0.18   0.06  -0.01
     6   6    -0.12  -0.10   0.01    -0.21  -0.00   0.02    -0.24   0.03   0.02
     7   6     0.11   0.11  -0.01    -0.23  -0.00   0.02     0.25  -0.03  -0.02
     8   1     0.32   0.03  -0.02    -0.31   0.04   0.03    -0.31   0.08   0.03
     9   1    -0.18  -0.16   0.01    -0.17  -0.31   0.01    -0.11  -0.23   0.00
    10   1     0.12  -0.19  -0.01     0.16  -0.13  -0.02     0.27  -0.14  -0.03
    11   6    -0.02   0.02   0.00     0.04  -0.01  -0.01     0.02  -0.01  -0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.01   0.00   0.01    -0.00   0.00   0.00
    14   1     0.15  -0.00  -0.00    -0.09   0.00   0.01    -0.05  -0.00   0.01
    15   1     0.00  -0.01   0.01     0.00   0.01   0.02     0.00   0.01   0.01
    16   1    -0.01  -0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
    17   1     0.02  -0.00  -0.01    -0.01   0.00  -0.00    -0.01   0.00   0.00
    18   8    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    19   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.01     0.01  -0.00  -0.02     0.01  -0.01  -0.03
    21   6    -0.17  -0.19   0.01     0.23   0.06  -0.02    -0.19  -0.05   0.01
    22   6    -0.08   0.27   0.01    -0.20   0.10   0.02     0.13  -0.06  -0.01
    23   6     0.12  -0.18  -0.01     0.20  -0.10  -0.02    -0.20   0.07   0.02
    24   8     0.03  -0.01  -0.00     0.03  -0.01  -0.00    -0.01   0.01   0.00
    25   6    -0.01  -0.00   0.00     0.00   0.02  -0.00    -0.00  -0.01   0.00
    26   1    -0.06   0.18   0.01     0.19  -0.15  -0.02    -0.29   0.15   0.03
    27   1     0.17   0.15  -0.01    -0.14  -0.32   0.00     0.07   0.21  -0.00
    28   1    -0.35  -0.05   0.03    -0.31   0.04   0.03     0.30  -0.08  -0.03
    29   1     0.01   0.01   0.00    -0.04  -0.06   0.03     0.02   0.05  -0.03
    30   1    -0.02  -0.06   0.00    -0.00  -0.10  -0.00    -0.00   0.05   0.00
    31   1     0.01   0.01  -0.00    -0.05  -0.06  -0.03     0.02   0.04   0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1838.0684              3011.2361              3015.4759
 Red. masses --     10.3678                 1.0345                 1.0817
 Frc consts  --     20.6376                 5.5267                 5.7951
 IR Inten    --    424.6515                47.0488                 9.3205
 RamAct Fr= 1--     31.7375               200.5366                67.0703
  Dep-P Fr= 1--      0.3203                 0.0549                 0.1482
  Dep-U Fr= 1--      0.4851                 0.1040                 0.2581
 Alpha2 Fr= 1--      0.3061                 3.9155                 1.0416
 Beta2  Fr= 1--      2.5662                 3.4767                 2.8856
 AlphaG Fr= 1--     -0.9201                 0.2015                 0.2662
 Gamma2 Fr= 1--     -4.7388                 0.5141                -0.7753
 Delta2 Fr= 1--     -0.3239                -0.4712                -0.1298
 Raman1 Fr= 1--     126.950                802.146                268.281
 ROA1   Fr= 1--    -465.295                 34.275                -78.588
 CID1   Fr= 1--      -3.665                  0.043                 -0.293
 Raman2 Fr= 1--      30.794                 41.720                 34.628
 ROA2   Fr= 1--    -111.141                 16.107                -17.569
 CID2   Fr= 1--      -3.609                  0.386                 -0.507
 Raman3 Fr= 1--      61.588                 83.441                 69.256
 ROA3   Fr= 1--    -465.295                 34.275                -78.588
 CID3   Fr= 1--      -7.555                  0.411                 -1.135
 RC180  Fr= 1--      -0.030                 -0.792                 -0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.02   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   1    -0.01   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02   0.00
     9   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.04   0.02  -0.01    -0.00  -0.00  -0.00    -0.01  -0.08  -0.00
    12   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
    13   6     0.68  -0.29   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   1    -0.03   0.00  -0.06     0.00   0.01   0.00     0.10   0.99   0.02
    15   1     0.03  -0.03   0.05     0.00   0.00   0.00    -0.02  -0.00  -0.00
    16   1    -0.08   0.04   0.08    -0.00   0.00  -0.00     0.02  -0.01   0.02
    17   1     0.02  -0.02   0.04    -0.00  -0.00  -0.00    -0.01  -0.08  -0.00
    18   8    -0.43   0.18   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8    -0.04   0.02  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.06  -0.01   0.45    -0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    24   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00     0.01  -0.05  -0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
    29   1    -0.00   0.00  -0.00    -0.15   0.31   0.58     0.00  -0.00  -0.01
    30   1    -0.00  -0.00   0.00     0.29  -0.03  -0.03    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.24   0.33  -0.53     0.00  -0.00   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3053.2206              3067.8399              3117.2994
 Red. masses --      1.0350                 1.1058                 1.1025
 Frc consts  --      5.6846                 6.1318                 6.3125
 IR Inten    --     16.5389                32.8522                15.5769
 RamAct Fr= 1--    184.0653                48.0139                33.9323
  Dep-P Fr= 1--      0.0252                 0.7499                 0.7425
  Dep-U Fr= 1--      0.0491                 0.8571                 0.8522
 Alpha2 Fr= 1--      3.8560                 0.0001                 0.0043
 Beta2  Fr= 1--      1.5067                 6.8586                 4.8195
 AlphaG Fr= 1--     -0.2257                 0.0588                 0.0092
 Gamma2 Fr= 1--      0.8055                 0.7860                -2.9007
 Delta2 Fr= 1--      3.7686                 1.1504                 1.1489
 Raman1 Fr= 1--     736.261                192.056                135.729
 ROA1   Fr= 1--     197.918                112.267               -241.700
 CID1   Fr= 1--       0.269                  0.585                 -1.781
 Raman2 Fr= 1--      18.081                 82.304                 57.834
 ROA2   Fr= 1--     -10.817                  9.661                -78.808
 CID2   Fr= 1--      -0.598                  0.117                 -1.363
 Raman3 Fr= 1--      36.161                164.607                115.669
 ROA3   Fr= 1--     197.918                112.267               -241.700
 CID3   Fr= 1--       5.473                  0.682                 -2.090
 RC180  Fr= 1--      -0.902                  0.714                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     9   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.03  -0.03  -0.00
    10   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.01   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
    12   6     0.01  -0.02  -0.05     0.00  -0.00  -0.00     0.02  -0.08   0.04
    13   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.00   0.02  -0.00     0.00   0.00   0.00     0.01   0.08   0.00
    15   1    -0.46  -0.12   0.01    -0.00  -0.00   0.00     0.01  -0.02   0.01
    16   1     0.31  -0.27   0.50     0.00  -0.00   0.00    -0.32   0.26  -0.52
    17   1     0.05   0.59   0.03     0.00   0.00   0.00     0.06   0.73   0.06
    18   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    23   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    25   6     0.00  -0.00   0.00    -0.01   0.00  -0.09    -0.00   0.00   0.00
    26   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    28   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00    -0.17   0.34   0.59     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.02     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.27  -0.36   0.54    -0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.0637              3140.1022              3153.6382
 Red. masses --      1.1020                 1.0993                 1.0896
 Frc consts  --      6.3692                 6.3865                 6.3847
 IR Inten    --     16.6919                23.1130                10.5902
 RamAct Fr= 1--    159.9724               176.9161                59.2847
  Dep-P Fr= 1--      0.4985                 0.4057                 0.2735
  Dep-U Fr= 1--      0.6653                 0.5772                 0.4295
 Alpha2 Fr= 1--      0.7957                 1.2839                 0.6573
 Beta2  Fr= 1--     17.7380                17.0199                 4.2440
 AlphaG Fr= 1--      0.1461                -0.1020                 0.0873
 Gamma2 Fr= 1--     -0.0149                -0.5438                 0.9337
 Delta2 Fr= 1--     -5.9653                -0.3589                -0.5857
 Raman1 Fr= 1--     639.890                707.664                237.139
 ROA1   Fr= 1--    -192.322                -63.691                 70.890
 CID1   Fr= 1--      -0.301                 -0.090                  0.299
 Raman2 Fr= 1--     212.856                204.239                 50.928
 ROA2   Fr= 1--      47.364                -10.180                 27.094
 CID2   Fr= 1--       0.223                 -0.050                  0.532
 Raman3 Fr= 1--     425.712                408.477                101.856
 ROA3   Fr= 1--    -192.322                -63.691                 70.890
 CID3   Fr= 1--      -0.452                 -0.156                  0.696
 RC180  Fr= 1--       0.331                  0.154                 -0.141
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.08   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     8   1    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.30   0.95  -0.01
     9   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.01  -0.00    -0.00  -0.00   0.00     0.01   0.04  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.08  -0.03  -0.02     0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1     0.00   0.03   0.00    -0.00  -0.00  -0.00     0.01   0.02   0.00
    15   1     0.85   0.21  -0.03    -0.00  -0.00   0.00     0.01   0.00  -0.00
    16   1     0.16  -0.16   0.27    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.01   0.31   0.01    -0.00  -0.00  -0.00     0.00   0.01   0.00
    18   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   6    -0.00   0.00   0.00    -0.09   0.02   0.01     0.00  -0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.08   0.00
    27   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    28   1     0.00   0.00  -0.00     0.01   0.03  -0.00    -0.00   0.00   0.00
    29   1     0.00  -0.00  -0.00     0.03  -0.08  -0.17    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.95  -0.10  -0.08    -0.00   0.00   0.00
    31   1     0.00  -0.00   0.00     0.06  -0.09   0.16    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3166.0386              3172.5900              3183.4623
 Red. masses --      1.0864                 1.0883                 1.0946
 Frc consts  --      6.4164                 6.4537                 6.5358
 IR Inten    --      3.8297                 7.9899                 9.7452
 RamAct Fr= 1--     51.0039                80.2130               131.0607
  Dep-P Fr= 1--      0.7298                 0.5293                 0.1659
  Dep-U Fr= 1--      0.8438                 0.6922                 0.2845
 Alpha2 Fr= 1--      0.0176                 0.3431                 1.9457
 Beta2  Fr= 1--      7.1728                 9.2536                 6.2149
 AlphaG Fr= 1--      0.0275                -0.0217                -0.3436
 Gamma2 Fr= 1--      0.2332                -0.9749                 1.2134
 Delta2 Fr= 1--     -1.0986                 0.2745                 3.2536
 Raman1 Fr= 1--     204.016                320.852                524.243
 ROA1   Fr= 1--     -12.772                -84.811                220.597
 CID1   Fr= 1--      -0.063                 -0.264                  0.421
 Raman2 Fr= 1--      86.074                111.044                 74.579
 ROA2   Fr= 1--      14.385                -25.595                  3.092
 CID2   Fr= 1--       0.167                 -0.230                  0.041
 Raman3 Fr= 1--     172.148                222.087                149.158
 ROA3   Fr= 1--     -12.772                -84.811                220.597
 CID3   Fr= 1--      -0.074                 -0.382                  1.479
 RC180  Fr= 1--       0.688                  0.384                 -0.431
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.03   0.04   0.00     0.00  -0.00  -0.00     0.05  -0.05  -0.00
     6   6    -0.02  -0.06   0.00    -0.00   0.00   0.00    -0.02  -0.05   0.00
     7   6    -0.00  -0.00   0.00    -0.02  -0.08   0.00    -0.00   0.00   0.00
     8   1    -0.01  -0.03   0.00     0.03   0.08  -0.00    -0.01  -0.03   0.00
     9   1     0.41  -0.45  -0.04    -0.01   0.02   0.00    -0.53   0.58   0.05
    10   1     0.23   0.75  -0.01    -0.00  -0.01   0.00     0.18   0.58  -0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.01  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00   0.00
    16   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    17   1    -0.00  -0.03  -0.00     0.00   0.00   0.00     0.00   0.03   0.00
    18   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6    -0.00   0.00   0.00    -0.02   0.02   0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.01   0.02  -0.00     0.28   0.90  -0.00    -0.00  -0.00  -0.00
    27   1     0.01  -0.01  -0.00     0.21  -0.23  -0.02    -0.01   0.01   0.00
    28   1    -0.01  -0.03  -0.00     0.01   0.02  -0.00    -0.01  -0.04  -0.00
    29   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3199.8583              3206.0767              3707.8465
 Red. masses --      1.0937                 1.0893                 1.0652
 Frc consts  --      6.5981                 6.5969                 8.6286
 IR Inten    --      5.2887                 8.4050               132.4937
 RamAct Fr= 1--    195.6150                77.1004               176.9061
  Dep-P Fr= 1--      0.2250                 0.2674                 0.2396
  Dep-U Fr= 1--      0.3674                 0.4219                 0.3865
 Alpha2 Fr= 1--      2.4837                 0.8699                 2.1584
 Beta2  Fr= 1--     11.9781                 5.4220                11.3969
 AlphaG Fr= 1--     -0.1303                 0.0148                -3.6085
 Gamma2 Fr= 1--     -1.2211                 0.2081               -36.4428
 Delta2 Fr= 1--     -0.5958                 0.0118                -2.7497
 Raman1 Fr= 1--     782.460                308.402                707.624
 ROA1   Fr= 1--    -136.290                 20.357              -3586.495
 CID1   Fr= 1--      -0.174                  0.066                 -5.068
 Raman2 Fr= 1--     143.737                 65.064                136.762
 ROA2   Fr= 1--     -24.540                  4.900               -852.629
 CID2   Fr= 1--      -0.171                  0.075                 -6.234
 Raman3 Fr= 1--     287.475                130.129                273.525
 ROA3   Fr= 1--    -136.290                 20.357              -3586.495
 CID3   Fr= 1--      -0.474                  0.156                -13.112
 RC180  Fr= 1--      -0.265                 -0.156                 -0.227
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.01  -0.03   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1     0.00   0.01  -0.00    -0.00  -0.01   0.00     0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00     0.01   0.05  -0.00     0.00   0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.06   0.02  -0.01
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.94  -0.32   0.12
    21   6     0.06  -0.06  -0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00   0.00    -0.02  -0.08   0.00     0.00  -0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.09   0.29  -0.00    -0.01  -0.02   0.00    -0.00  -0.00  -0.00
    27   1    -0.65   0.68   0.07    -0.01   0.01   0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.01  -0.00     0.29   0.95  -0.00     0.00   0.00  -0.00
    29   1     0.00   0.00   0.00    -0.01   0.01   0.02    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.02   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1299.412138870.282849172.11716
           X            0.99989   0.00987  -0.01143
           Y           -0.00975   0.99990   0.01032
           Z            0.01153  -0.01020   0.99988
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06666     0.00976     0.00944
 Rotational constants (GHZ):           1.38889     0.20346     0.19676
 Zero-point vibrational energy     658088.0 (Joules/Mol)
                                  157.28681 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     41.14    58.99    65.48   138.36   183.39
          (Kelvin)            200.12   270.18   301.59   306.82   316.68
                              347.02   409.61   433.12   550.71   576.29
                              594.82   653.13   702.38   716.93   753.01
                              767.25   778.67   835.77   867.34   923.41
                              981.87   999.95  1077.16  1124.44  1138.66
                             1171.81  1191.25  1200.75  1248.85  1271.29
                             1316.63  1365.58  1386.24  1402.42  1413.32
                             1456.96  1527.82  1566.87  1588.32  1656.51
                             1689.18  1691.96  1703.22  1715.46  1733.82
                             1762.07  1824.73  1846.27  1869.82  1871.47
                             1885.16  1928.83  1988.79  2027.59  2039.15
                             2051.36  2096.52  2124.41  2146.88  2148.59
                             2155.01  2167.20  2194.88  2224.79  2326.61
                             2379.07  2407.01  2644.57  4332.50  4338.60
                             4392.90  4413.94  4485.10  4506.34  4517.91
                             4537.38  4555.22  4564.65  4580.29  4603.88
                             4612.83  5334.76
 
 Zero-point correction=                           0.250652 (Hartree/Particle)
 Thermal correction to Energy=                    0.265855
 Thermal correction to Enthalpy=                  0.266799
 Thermal correction to Gibbs Free Energy=         0.207181
 Sum of electronic and zero-point Energies=           -767.722802
 Sum of electronic and thermal Energies=              -767.707600
 Sum of electronic and thermal Enthalpies=            -767.706655
 Sum of electronic and thermal Free Energies=         -767.766273
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.827             58.664            125.477
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.025
 Vibrational            165.049             52.702             50.250
 Vibration     1          0.593              1.984              5.925
 Vibration     2          0.594              1.981              5.210
 Vibration     3          0.595              1.979              5.004
 Vibration     4          0.603              1.952              3.531
 Vibration     5          0.611              1.926              2.984
 Vibration     6          0.615              1.914              2.816
 Vibration     7          0.632              1.857              2.250
 Vibration     8          0.642              1.826              2.047
 Vibration     9          0.644              1.821              2.016
 Vibration    10          0.647              1.810              1.958
 Vibration    11          0.658              1.777              1.794
 Vibration    12          0.683              1.702              1.505
 Vibration    13          0.693              1.672              1.411
 Vibration    14          0.752              1.507              1.028
 Vibration    15          0.766              1.469              0.961
 Vibration    16          0.777              1.441              0.915
 Vibration    17          0.812              1.352              0.784
 Vibration    18          0.844              1.276              0.688
 Vibration    19          0.854              1.254              0.662
 Vibration    20          0.878              1.198              0.602
 Vibration    21          0.888              1.176              0.580
 Vibration    22          0.896              1.159              0.563
 Vibration    23          0.938              1.073              0.484
 Vibration    24          0.961              1.026              0.445
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.504987D-95        -95.296720       -219.428806
 Total V=0       0.989286D+20         19.995322         46.040930
 Vib (Bot)       0.100010-109       -109.999955       -253.284256
 Vib (Bot)    1  0.724191D+01          0.859853          1.979884
 Vib (Bot)    2  0.504641D+01          0.702983          1.618677
 Vib (Bot)    3  0.454439D+01          0.657475          1.513893
 Vib (Bot)    4  0.213572D+01          0.329544          0.758803
 Vib (Bot)    5  0.160045D+01          0.204242          0.470286
 Vib (Bot)    6  0.146229D+01          0.165033          0.380003
 Vib (Bot)    7  0.106666D+01          0.028028          0.064537
 Vib (Bot)    8  0.947684D+00         -0.023336         -0.053734
 Vib (Bot)    9  0.930160D+00         -0.031443         -0.072399
 Vib (Bot)   10  0.898644D+00         -0.046412         -0.106868
 Vib (Bot)   11  0.812528D+00         -0.090162         -0.207605
 Vib (Bot)   12  0.673654D+00         -0.171563         -0.395038
 Vib (Bot)   13  0.631378D+00         -0.199710         -0.459850
 Vib (Bot)   14  0.471456D+00         -0.326559         -0.751930
 Vib (Bot)   15  0.444813D+00         -0.351822         -0.810101
 Vib (Bot)   16  0.426848D+00         -0.369727         -0.851327
 Vib (Bot)   17  0.376552D+00         -0.424174         -0.976698
 Vib (Bot)   18  0.340180D+00         -0.468292         -1.078281
 Vib (Bot)   19  0.330333D+00         -0.481048         -1.107653
 Vib (Bot)   20  0.307459D+00         -0.512213         -1.179415
 Vib (Bot)   21  0.298990D+00         -0.524343         -1.207345
 Vib (Bot)   22  0.292414D+00         -0.534002         -1.229584
 Vib (Bot)   23  0.262091D+00         -0.581548         -1.339063
 Vib (Bot)   24  0.246975D+00         -0.607347         -1.398468
 Vib (V=0)       0.195924D+06          5.292087         12.185480
 Vib (V=0)    1  0.775915D+01          0.889814          2.048872
 Vib (V=0)    2  0.557112D+01          0.745943          1.717596
 Vib (V=0)    3  0.507181D+01          0.705163          1.623698
 Vib (V=0)    4  0.269347D+01          0.430312          0.990829
 Vib (V=0)    5  0.217674D+01          0.337806          0.777827
 Vib (V=0)    6  0.204541D+01          0.310780          0.715598
 Vib (V=0)    7  0.167804D+01          0.224802          0.517625
 Vib (V=0)    8  0.157150D+01          0.196314          0.452029
 Vib (V=0)    9  0.155603D+01          0.192018          0.442137
 Vib (V=0)   10  0.152838D+01          0.184231          0.424207
 Vib (V=0)   11  0.145404D+01          0.162578          0.374349
 Vib (V=0)   12  0.133893D+01          0.126759          0.291874
 Vib (V=0)   13  0.130538D+01          0.115737          0.266495
 Vib (V=0)   14  0.118722D+01          0.074531          0.171614
 Vib (V=0)   15  0.116922D+01          0.067897          0.156339
 Vib (V=0)   16  0.115742D+01          0.063491          0.146192
 Vib (V=0)   17  0.112593D+01          0.051512          0.118612
 Vib (V=0)   18  0.110475D+01          0.043264          0.099619
 Vib (V=0)   19  0.109927D+01          0.041103          0.094643
 Vib (V=0)   20  0.108697D+01          0.036217          0.083392
 Vib (V=0)   21  0.108258D+01          0.034458          0.079344
 Vib (V=0)   22  0.107923D+01          0.033114          0.076247
 Vib (V=0)   23  0.106453D+01          0.027157          0.062531
 Vib (V=0)   24  0.105767D+01          0.024351          0.056069
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.368063D+07          6.565923         15.118595
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3           3333333333333                              111111111111111111111111111111111                                        
     7           2211111110000                              866655544444444333332222111111000999998888877766665555444443322222111    
     0           0087654316511                              3751420999752108410086209877508618764186321984984084329851080842118329442
     8           6033640278351                              8347666832776792101038552464149232539548584129522311338843131510308976619
 
     X           XXXXXXXXXXXXX                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXX
     X                    X  X                              XXX XXX     X   XXXXXXXX  X    X      X           X                      
     X                                                      XXX         X   XXXX XX        X                  X                      
     X                                                      X X             XXX  X                                                   
     X                                                      X X             XXX                                                      
     X                                                      X X             XX                                                       
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
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                                                            X                                                                        
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                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000337   -0.000000230    0.000000335
      2        6           0.000000126   -0.000000829   -0.000000408
      3        6          -0.000000338   -0.000002850   -0.000001340
      4        6          -0.000000405    0.000006186   -0.000001624
      5        6          -0.000000071   -0.000002378    0.000000403
      6        6           0.000000532   -0.000000032    0.000000343
      7        6          -0.000000966   -0.000000368   -0.000000839
      8        1          -0.000000105    0.000000407    0.000000498
      9        1           0.000000512    0.000000551   -0.000000024
     10        1           0.000000641    0.000001043    0.000000213
     11        6          -0.000002964   -0.000002527    0.000008114
     12        6          -0.000003050   -0.000001811   -0.000002639
     13        6           0.000006032    0.000002259   -0.000013425
     14        1           0.000001803    0.000000799    0.000000386
     15        1           0.000000234    0.000000900   -0.000000225
     16        1           0.000000817    0.000000267    0.000000771
     17        1           0.000001580   -0.000000032    0.000001236
     18        8          -0.000005136    0.000001087    0.000002887
     19        8          -0.000002103   -0.000000020    0.000009654
     20        1           0.000000498   -0.000000705   -0.000001911
     21        6           0.000000649   -0.000000930   -0.000000294
     22        6          -0.000000400    0.000000203    0.000000251
     23        6           0.000001767    0.000001201   -0.000000243
     24        8           0.000000428    0.000001491   -0.000000973
     25        6          -0.000001154   -0.000004218    0.000000231
     26        1          -0.000000035   -0.000000636    0.000000030
     27        1           0.000000034   -0.000000484   -0.000000252
     28        1           0.000001276    0.000000577   -0.000000102
     29        1          -0.000000129    0.000000253   -0.000000163
     30        1          -0.000000263    0.000000199   -0.000000333
     31        1          -0.000000145    0.000000627   -0.000000556
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013425 RMS     0.000002467
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.300754D+03 -0.917743D+01 -0.130669D+02
      2  -0.917743D+01  0.173544D+03  0.212507D+01
      3  -0.130669D+02  0.212507D+01  0.122047D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.295662D+01 -0.253932D+02  0.292056D+01
      2   0.454851D+02  0.844360D+00  0.290163D+02
      3   0.780045D+02  0.702690D+02 -0.275353D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.275744D+03 -0.879030D+02  0.433196D+02
      2   0.872238D+02  0.685517D+02  0.654152D+01
      3   0.188521D+03  0.193513D+02 -0.498611D+02
      4  -0.799840D+02 -0.173018D+03 -0.109766D+01
      5  -0.344265D+02 -0.254624D+01  0.711136D+02
      6  -0.361163D+01 -0.464354D+02 -0.124960D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.320301D+02 -0.196249D+01 -0.199547D+01  0.473770D+02 -0.812796D+01
      2  -0.196249D+01 -0.468470D+00  0.331325D+00 -0.812796D+01  0.844882D+01
      3  -0.199547D+01  0.331325D+00 -0.105757D+00 -0.371436D+01  0.805300D+00
                 6             7             8             9            10 
      1  -0.371436D+01 -0.121773D+01 -0.875443D-02  0.118326D+01 -0.356662D+02
      2   0.805300D+00 -0.875443D-02  0.139380D+00  0.136724D+01  0.289644D+01
      3  -0.282361D+00  0.118326D+01  0.136724D+01 -0.510927D-01  0.223915D+01
                11            12            13            14            15 
      1   0.289644D+01  0.223915D+01 -0.472483D+02  0.742884D+01  0.377683D+01
      2  -0.410448D+01 -0.244779D+00  0.742884D+01 -0.672896D+01 -0.853317D+00
      3  -0.244779D+00  0.229304D+00  0.377683D+01 -0.853317D+00  0.332824D+00
                16            17            18            19            20 
      1   0.177511D+01 -0.170294D+00 -0.118089D+01 -0.422553D+02  0.527147D+01
      2  -0.170294D+00  0.293001D+00 -0.118428D+01  0.527147D+01 -0.440371D+01
      3  -0.118089D+01 -0.118428D+01 -0.207946D-01  0.216172D+01 -0.293206D+00
                21            22            23            24            25 
      1   0.216172D+01  0.188490D+02 -0.211468D+01 -0.325083D+00  0.420415D+01
      2  -0.293206D+00 -0.211468D+01  0.359637D+01  0.257658D+00  0.138175D+00
      3  -0.421969D+00 -0.325083D+00  0.257658D+00  0.238202D+01  0.127544D+01
                26            27            28            29            30 
      1   0.138175D+00  0.127544D+01  0.467564D+02 -0.311175D+01 -0.135857D+01
      2   0.192889D+00  0.377488D+01 -0.311175D+01  0.388216D+01  0.257995D+00
      3   0.377488D+01  0.855798D-02 -0.135857D+01  0.257995D+00  0.239245D+01
                31            32            33            34            35 
      1  -0.591169D+01  0.689021D+00  0.244603D+00  0.157997D+00  0.498157D-01
      2   0.689021D+00 -0.799477D+01 -0.566843D+00  0.498157D-01 -0.966574D+00
      3   0.244603D+00 -0.566843D+00 -0.599082D+00  0.679553D+01 -0.739339D+00
                36            37            38            39            40 
      1   0.679553D+01  0.865458D+01 -0.119542D+00 -0.369370D+00 -0.878635D+01
      2  -0.739339D+00 -0.119542D+00  0.905194D+01  0.308583D+00  0.188059D+01
      3  -0.764794D+00 -0.369370D+00  0.308583D+00  0.220489D+01  0.323427D-01
                41            42            43            44            45 
      1   0.188059D+01  0.323427D-01 -0.101085D+01 -0.146018D+00  0.427282D+01
      2   0.372301D+01  0.105131D+00 -0.146018D+00 -0.661428D+00 -0.236839D+01
      3   0.105131D+00 -0.107315D+01  0.427282D+01 -0.236839D+01 -0.126695D+01
                46            47            48            49            50 
      1  -0.122320D+02  0.107362D+01  0.114207D+01 -0.110127D+01  0.128865D+01
      2   0.107362D+01 -0.574925D+01 -0.912511D+00  0.128865D+01 -0.770796D+00
      3   0.114207D+01 -0.912511D+00 -0.183300D+01  0.669731D-02  0.434122D-03
                51            52            53            54            55 
      1   0.669731D-02  0.775768D+00 -0.460136D+00 -0.114536D+01  0.145553D+02
      2   0.434122D-03 -0.460136D+00  0.623796D+00 -0.404973D+01 -0.366816D+01
      3  -0.166382D+01 -0.114536D+01 -0.404973D+01 -0.963430D-01 -0.107974D+01
                56            57            58            59            60 
      1  -0.366816D+01 -0.107974D+01 -0.583209D+00 -0.117167D+01  0.211465D+00
      2   0.104500D+02  0.692424D+00 -0.117167D+01  0.169936D+00 -0.403852D-01
      3   0.692424D+00  0.211981D+01  0.211465D+00 -0.403852D-01  0.181499D+01
                61            62            63            64            65 
      1  -0.111852D+01  0.600539D+00  0.103132D+01  0.104643D+01  0.216740D+01
      2   0.600539D+00 -0.107189D+01  0.408702D+01  0.216740D+01  0.154624D+01
      3   0.103132D+01  0.408702D+01 -0.246472D+00 -0.679717D-01 -0.167000D+00
                66            67            68            69            70 
      1  -0.679717D-01  0.242537D+01  0.298928D+01 -0.143808D+00 -0.228328D+00
      2  -0.167000D+00  0.298928D+01  0.756849D+01 -0.238523D+00 -0.161198D+00
      3   0.159249D+00 -0.143808D+00 -0.238523D+00  0.741482D+00 -0.949861D-01
                71            72            73            74            75 
      1  -0.161198D+00 -0.949861D-01  0.595904D+01 -0.287967D+01 -0.594605D+00
      2  -0.488230D-01  0.748183D-01 -0.287967D+01  0.265744D+01  0.258363D+00
      3   0.748183D-01 -0.524222D-01 -0.594605D+00  0.258363D+00  0.487389D+00
                76            77            78            79            80 
      1  -0.397498D+01  0.409667D+01  0.464303D+00 -0.681440D+00  0.200381D+00
      2   0.409667D+01 -0.491637D+01 -0.449080D+00  0.200381D+00 -0.218621D+00
      3   0.464303D+00 -0.449080D+00 -0.694667D+00 -0.366525D+00 -0.209502D+00
                81            82            83            84            85 
      1  -0.366525D+00 -0.101274D+01 -0.150207D+01  0.415492D-01 -0.744831D+00
      2  -0.209502D+00 -0.150207D+01 -0.208765D+01  0.639674D-01 -0.143238D+01
      3   0.453159D-01  0.415492D-01  0.639674D-01 -0.149098D+00 -0.626143D-01
                86            87            88            89            90 
      1  -0.143238D+01 -0.626143D-01  0.181925D+00  0.110415D+00  0.970168D-01
      2  -0.991651D+01 -0.142034D+00  0.110415D+00 -0.774462D-02 -0.900639D-01
      3  -0.142034D+00 -0.814018D+00  0.970168D-01 -0.900639D-01 -0.144727D-01
                91            92            93            94            95 
      1  -0.153390D+02  0.192540D+01  0.144031D+00  0.218442D+01 -0.627194D+00
      2   0.192540D+01 -0.285060D+00 -0.110935D+00 -0.627194D+00 -0.488924D+01
      3   0.144031D+00 -0.110935D+00 -0.352519D+01 -0.110110D+01 -0.508105D-01
                96            97            98            99           100 
      1  -0.110110D+01 -0.618450D-01 -0.480134D+00 -0.781663D+01 -0.682195D+01
      2  -0.508105D-01 -0.480134D+00 -0.297590D+00  0.139777D+01 -0.232679D+01
      3   0.140771D+01 -0.781663D+01  0.139777D+01  0.171262D+00  0.126585D+01
               101           102           103           104           105 
      1  -0.232679D+01  0.126585D+01 -0.588511D+01  0.666486D+00  0.876549D+00
      2   0.295471D+00 -0.243115D+00  0.666486D+00  0.446673D+01  0.120627D+01
      3  -0.243115D+00  0.359798D+01  0.876549D+00  0.120627D+01 -0.281164D+01
               106           107           108           109           110 
      1  -0.481289D+01  0.559375D+00  0.555629D+01 -0.672714D+01  0.234192D+01
      2   0.559375D+00  0.526191D+00 -0.225486D+01  0.234192D+01 -0.601461D+00
      3   0.555629D+01 -0.225486D+01 -0.561792D+00 -0.675783D-01  0.350207D+00
               111           112           113           114           115 
      1  -0.675783D-01  0.175809D+01 -0.500589D+00  0.715355D+00  0.762706D+01
      2   0.350207D+00 -0.500589D+00  0.917922D+00  0.248509D+00 -0.409808D+00
      3   0.162660D+01  0.715355D+00  0.248509D+00 -0.825968D+00  0.446926D+01
               116           117           118           119           120 
      1  -0.409808D+00  0.446926D+01 -0.109734D+01  0.133193D+01  0.420181D-01
      2   0.117440D+01 -0.583361D+00  0.133193D+01  0.790818D+00 -0.840017D-01
      3  -0.583361D+00  0.655017D+00  0.420181D-01 -0.840017D-01  0.829400D+00
               121           122           123           124           125 
      1   0.317968D+01  0.193425D+01 -0.220403D-01  0.510124D+00 -0.418874D-01
      2   0.193425D+01  0.646534D+01 -0.264974D+00 -0.418874D-01 -0.440124D-01
      3  -0.220403D-01 -0.264974D+00  0.139279D+01  0.118921D+01  0.816491D+00
               126           127           128           129           130 
      1   0.118921D+01  0.146593D+02  0.130837D+01 -0.338772D+01  0.288850D+01
      2   0.816491D+00  0.130837D+01  0.113550D+01 -0.181438D+00  0.141604D+01
      3  -0.299520D+00 -0.338772D+01 -0.181438D+00  0.219080D+01 -0.838174D+00
               131           132           133           134           135 
      1   0.141604D+01 -0.838174D+00 -0.101426D+01 -0.181648D+00  0.104825D+01
      2   0.261781D+00 -0.470303D+00 -0.181648D+00 -0.307686D-02  0.395008D+00
      3  -0.470303D+00  0.876099D+00  0.104825D+01  0.395008D+00 -0.422489D+00
               136           137           138           139           140 
      1  -0.461381D+00  0.529654D+00 -0.854673D+00  0.128227D+01 -0.492326D-01
      2   0.529654D+00 -0.633236D+00  0.513528D+00 -0.492326D-01  0.720011D+00
      3  -0.854673D+00  0.513528D+00 -0.304004D+01 -0.198298D+00 -0.150943D+01
               141           142           143           144           145 
      1  -0.198298D+00 -0.668253D+00 -0.130737D-01 -0.446598D+00  0.716911D+00
      2  -0.150943D+01 -0.130737D-01 -0.128842D+01  0.155774D+01 -0.720674D+00
      3   0.275376D+01 -0.446598D+00  0.155774D+01 -0.678627D+01 -0.148037D+00
               146           147           148           149           150 
      1  -0.720674D+00 -0.148037D+00 -0.240395D+01  0.777221D+00  0.940580D+00
      2   0.520979D-01  0.303598D-01  0.777221D+00 -0.603404D+01 -0.164787D+01
      3   0.303598D-01 -0.493243D+00  0.940580D+00 -0.164787D+01 -0.201527D+01
               151           152           153           154           155 
      1   0.890185D-01  0.224125D+00 -0.142279D+00  0.193795D+02 -0.343654D+01
      2   0.224125D+00 -0.731976D+00 -0.727795D+00 -0.343654D+01  0.202734D+01
      3  -0.142279D+00 -0.727795D+00 -0.721860D+00  0.103574D+01 -0.296868D+00
               156           157           158           159           160 
      1   0.103574D+01 -0.592698D+01  0.454913D+01 -0.575899D+00  0.129810D+01
      2  -0.296868D+00  0.454913D+01 -0.302654D+01  0.244164D+00 -0.333759D+00
      3   0.263261D+01 -0.575899D+00  0.244164D+00 -0.905581D+00  0.245388D+01
               161           162           163           164           165 
      1  -0.333759D+00  0.245388D+01  0.119827D+02 -0.127807D+01  0.401434D+01
      2  -0.419968D+00 -0.839940D+00 -0.127807D+01  0.892447D-01  0.199933D+00
      3  -0.839940D+00 -0.327232D+00  0.401434D+01  0.199933D+00  0.101947D+01
               166           167           168           169           170 
      1  -0.359758D+01  0.242419D+00 -0.660321D+00  0.183808D+01  0.487110D+00
      2   0.242419D+00  0.194012D+00  0.145324D+01  0.487110D+00  0.489083D+00
      3  -0.660321D+00  0.145324D+01 -0.439105D+00  0.937422D+00  0.306745D+00
               171           172           173           174           175 
      1   0.937422D+00 -0.109317D+02  0.100734D+01 -0.235351D+01  0.288648D+01
      2   0.306745D+00  0.100734D+01 -0.317607D+00 -0.180426D+00 -0.112216D+00
      3   0.756759D+01 -0.235351D+01 -0.180426D+00 -0.294915D+01  0.562849D+00
               176           177           178           179           180 
      1  -0.112216D+00  0.562849D+00 -0.684173D+01  0.146370D+00 -0.278445D+01
      2   0.610741D+00  0.731051D+00  0.146370D+00  0.102419D+01  0.295074D+00
      3   0.731051D+00  0.997487D+00 -0.278445D+01  0.295074D+00  0.182604D+00
               181           182           183           184           185 
      1  -0.130565D+02  0.133213D+01  0.431702D+00  0.605402D+01  0.637025D-01
      2   0.133213D+01 -0.113353D+02  0.132652D+00  0.637025D-01 -0.647236D+01
      3   0.431702D+00  0.132652D+00 -0.256627D+01 -0.216246D+00 -0.891276D-01
               186           187           188           189           190 
      1  -0.216246D+00  0.355755D+00  0.255982D+00 -0.520717D+01 -0.364224D+02
      2  -0.891276D-01  0.255982D+00  0.655356D+00  0.309684D+01  0.102778D+01
      3   0.133081D+01 -0.520717D+01  0.309684D+01  0.119690D+01  0.177086D+01
               191           192           193           194           195 
      1   0.102778D+01  0.177086D+01  0.143617D+02 -0.385439D+00 -0.803800D+00
      2  -0.709122D+01 -0.120518D+00 -0.385439D+00  0.141935D+02  0.103407D+00
      3  -0.120518D+00 -0.406282D+01 -0.803800D+00  0.103407D+00  0.327605D+00
               196           197           198           199           200 
      1   0.218107D+01  0.120265D+00 -0.691544D+01  0.400617D+02 -0.414264D+01
      2   0.120265D+00  0.898580D+00  0.606798D+00 -0.414264D+01  0.833158D+01
      3  -0.691544D+01  0.606798D+00  0.136220D+01 -0.278737D+01  0.106862D-01
               201           202           203           204           205 
      1  -0.278737D+01 -0.175699D+02 -0.630273D+00  0.105332D+01 -0.381658D+01
      2   0.106862D-01 -0.630273D+00 -0.565838D+01  0.975254D-01 -0.214171D-02
      3   0.426867D+00  0.105332D+01  0.975254D-01 -0.281300D+01  0.320608D+00
               206           207           208           209           210 
      1  -0.214171D-02  0.320608D+00  0.573741D+01  0.128153D+01 -0.343869D+00
      2  -0.678039D+00 -0.376742D+01  0.128153D+01  0.225390D+01  0.435742D-01
      3  -0.376742D+01 -0.282959D+00 -0.343869D+00  0.435742D-01  0.766655D+00
               211           212           213           214           215 
      1   0.211077D+01 -0.163416D+01 -0.303559D+00 -0.449674D+00 -0.990960D-01
      2  -0.163416D+01  0.190890D+01  0.200999D+00 -0.990960D-01 -0.170878D+00
      3  -0.303559D+00  0.200999D+00 -0.929719D+00 -0.297672D+00  0.362720D+00
               216           217           218           219           220 
      1  -0.297672D+00  0.328086D+01 -0.145181D+01 -0.485797D+00 -0.356801D+01
      2   0.362720D+00 -0.145181D+01 -0.296269D+01  0.438858D+00 -0.598071D-01
      3  -0.108108D-01 -0.485797D+00  0.438858D+00 -0.221376D+01  0.767206D+00
               221           222           223           224           225 
      1  -0.598071D-01  0.767206D+00 -0.263610D+00  0.476803D+00  0.713684D+00
      2  -0.127728D+01 -0.248020D+00  0.476803D+00  0.477604D-01  0.415289D+01
      3  -0.248020D+00  0.561048D+01  0.713684D+00  0.415289D+01  0.427420D+00
               226           227           228           229           230 
      1   0.745801D+00  0.127011D+01 -0.448413D-01  0.348638D+00  0.820959D+00
      2   0.127011D+01  0.234940D+01 -0.606797D-01  0.820959D+00  0.104584D+02
      3  -0.448413D-01 -0.606797D-01  0.157917D+00  0.587745D-01  0.883746D-01
               231           232           233           234           235 
      1   0.587745D-01 -0.726476D-01 -0.691842D-01 -0.223894D+00 -0.707836D+01
      2   0.883746D-01 -0.691842D-01  0.420424D-01  0.149552D+00  0.451412D+01
      3   0.830416D+00 -0.223894D+00  0.149552D+00  0.562822D-01  0.657216D+00
               236           237           238           239           240 
      1   0.451412D+01  0.657216D+00  0.511399D+01 -0.506057D+01 -0.467342D+00
      2  -0.391878D+01 -0.416328D+00 -0.506057D+01  0.584261D+01  0.503774D+00
      3  -0.416328D+00 -0.658898D+00 -0.467342D+00  0.503774D+00  0.751024D+00
               241           242           243           244           245 
      1   0.759735D+00 -0.468780D+00  0.336872D+00 -0.172385D+01 -0.218948D+01
      2  -0.468780D+00  0.432900D+00  0.238420D+00 -0.218948D+01 -0.116608D+01
      3   0.336872D+00  0.238420D+00  0.532723D-02  0.780164D-01  0.160350D+00
               246           247           248           249           250 
      1   0.780164D-01 -0.316061D+01 -0.308026D+01  0.125152D+00  0.329886D-01
      2   0.160350D+00 -0.308026D+01 -0.661200D+01  0.813113D-01  0.124121D+00
      3  -0.611967D-01  0.125152D+00  0.813113D-01 -0.530816D+00 -0.369314D-01
               251           252           253           254           255 
      1   0.124121D+00 -0.369314D-01  0.302742D+00  0.408341D+00 -0.628129D+00
      2  -0.670999D-01  0.140474D+00  0.408341D+00  0.456548D+00  0.352062D-01
      3   0.140474D+00 -0.585484D-02 -0.628129D+00  0.352062D-01  0.920136D+00
               256           257           258           259           260 
      1  -0.777375D+00 -0.150783D+01 -0.103363D+01 -0.346548D+01 -0.202741D+01
      2  -0.150783D+01 -0.258500D+01 -0.186270D+01 -0.202741D+01 -0.247622D+01
      3  -0.103363D+01 -0.186270D+01 -0.238929D+01 -0.194586D+01 -0.265882D+01
               261           262           263           264           265 
      1  -0.194586D+01 -0.156958D+02 -0.139463D+01  0.105627D+01  0.110076D+01
      2  -0.265882D+01 -0.139463D+01 -0.109879D+01  0.779897D-01 -0.105415D+01
      3  -0.479811D+01  0.105627D+01  0.779897D-01 -0.121067D+01 -0.882663D-01
               266           267           268           269           270 
      1  -0.105415D+01 -0.882663D-01  0.118201D+01  0.892118D-01 -0.148280D+01
      2   0.218148D+00  0.107116D+00  0.892118D-01  0.122271D+00 -0.466388D+00
      3   0.107116D+00 -0.790014D-01 -0.148280D+01 -0.466388D+00  0.318914D+00
               271           272           273           274           275 
      1   0.652764D+00  0.496764D+00  0.486723D+00 -0.680661D+00 -0.129484D+01
      2   0.496764D+00  0.854163D+00 -0.594196D+00 -0.129484D+01 -0.288254D+01
      3   0.486723D+00 -0.594196D+00  0.152955D+01  0.718503D+00  0.219915D+01
               276           277           278           279 
      1   0.718503D+00  0.275497D+01  0.149063D+01 -0.159338D+01
      2   0.219915D+01  0.149063D+01  0.249053D+01 -0.288060D+01
      3  -0.268300D+01 -0.159338D+01 -0.288060D+01  0.473284D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.250294D+01  0.306614D+01 -0.512510D+00  0.531805D+01 -0.327336D+01
      2   0.679632D+01 -0.259990D+00 -0.972335D+00  0.105233D+02 -0.132244D+01
      3   0.354173D+02  0.282730D+02 -0.194069D+01  0.516434D+02 -0.179358D+02
                 6             7             8             9            10 
      1  -0.650065D+00 -0.414260D+01  0.667387D+01  0.284030D+00 -0.968944D+00
      2   0.117011D+01 -0.191732D+02  0.217899D+01  0.164024D+01 -0.117401D+02
      3  -0.381263D+01 -0.721010D+00 -0.336300D+01  0.213369D+01 -0.168860D+02
                11            12            13            14            15 
      1   0.435389D+01  0.430789D+00  0.239146D+01 -0.779609D+00  0.836129D+00
      2   0.609086D+00 -0.521511D+01 -0.112414D+02  0.153940D+01  0.421858D-01
      3   0.348011D+02  0.137036D+01  0.396002D+02 -0.226368D+02 -0.344516D+01
                16            17            18            19            20 
      1  -0.330008D+01  0.788591D+01  0.616967D+00 -0.375091D+01 -0.714701D+00
      2  -0.204205D+02  0.159512D+01  0.179405D+01 -0.130379D+02  0.230438D+01
      3   0.254683D+01 -0.387181D+01 -0.179747D+01 -0.453530D+02 -0.200571D+02
                21            22            23            24            25 
      1   0.919960D+00 -0.482726D+00 -0.129006D+01 -0.313281D+01 -0.583673D+01
      2  -0.442264D-01  0.615752D+01 -0.114661D+01  0.213895D+01 -0.170643D+02
      3   0.267966D+01  0.160649D+02 -0.272335D+01 -0.436491D+00  0.300908D+01
                26            27            28            29            30 
      1   0.172698D+00 -0.149471D+01 -0.178166D+00  0.102374D+01 -0.311363D+00
      2   0.730541D+01  0.136193D+01  0.152519D+02 -0.143649D+01  0.136951D+01
      3   0.198204D+01 -0.361185D+01  0.188637D+02  0.443584D+01 -0.825557D+00
                31            32            33            34            35 
      1   0.458237D+01  0.257326D+01  0.239044D+01 -0.246879D+01  0.136643D+02
      2  -0.362887D+00  0.330326D+00 -0.155180D+01 -0.135929D+02  0.135226D+01
      3   0.208356D+02  0.143748D+01  0.406493D+00  0.166807D+01 -0.143066D+01
                36            37            38            39            40 
      1   0.979797D+00 -0.346223D+00 -0.216051D+01  0.459372D+01 -0.112846D+01
      2   0.183410D+01  0.956652D+00 -0.253810D+00  0.203721D+01 -0.388519D+01
      3   0.405945D+01 -0.229051D+02 -0.260726D+01  0.356716D+00 -0.542070D+01
                41            42            43            44            45 
      1  -0.208771D+01 -0.812342D+00  0.144259D+02  0.639941D+01 -0.919206D+00
      2   0.712955D+00 -0.139993D+01 -0.106202D+02 -0.620325D+01  0.118630D+01
      3  -0.708104D+01 -0.117104D+01 -0.560444D+00 -0.144714D+01 -0.461919D+01
                46            47            48            49            50 
      1   0.175051D+01 -0.806149D+00 -0.448554D+01 -0.126440D+01  0.201718D+01
      2  -0.364244D+01  0.827364D-01  0.104217D+01 -0.568805D-01  0.249943D+00
      3   0.412823D+02 -0.282252D+02 -0.233233D+01 -0.979985D+01  0.215618D+02
                51            52            53            54            55 
      1  -0.309007D+01 -0.818410D+01 -0.219676D+01  0.231127D+01  0.172620D+01
      2  -0.823402D+00 -0.175001D+02 -0.507561D+00  0.800883D+00 -0.305962D+00
      3   0.147794D+01 -0.343794D+01  0.279277D+01  0.593832D+01  0.269570D+02
                56            57            58            59            60 
      1  -0.339202D+01 -0.628007D+01  0.146002D+00  0.198502D+01 -0.364100D+01
      2  -0.126587D+01 -0.582119D+01  0.381195D+00 -0.454146D+00 -0.408297D+01
      3  -0.135973D+02 -0.689880D+00  0.344362D+00  0.216279D+02  0.214455D+00
                61            62            63            64            65 
      1  -0.740866D+01 -0.349295D+01  0.132072D+01 -0.535407D+00  0.574477D-01
      2  -0.222042D+02 -0.638458D+01  0.197129D+01  0.418800D-01  0.430468D+00
      3  -0.100344D+01  0.150440D+01  0.128174D+02  0.310409D-01  0.539701D+00
                66            67            68            69            70 
      1  -0.110265D+01 -0.513915D+00 -0.163494D+01 -0.395544D+01  0.162392D-01
      2   0.412761D+00  0.624458D+00  0.550884D+00  0.149559D+01 -0.193064D+01
      3   0.144824D+00  0.499241D+01 -0.484444D+01 -0.506467D-01  0.922002D-01
                71            72            73            74            75 
      1   0.208053D+01  0.243082D+00 -0.552507D+00 -0.610610D+00  0.249907D+01
      2  -0.815981D+00 -0.570690D-02  0.201385D+01 -0.893328D+00  0.163850D+01
      3  -0.244916D+00  0.609646D+00 -0.906980D+01 -0.269106D+00  0.746375D+00
                76            77            78            79            80 
      1  -0.972208D+00  0.135719D+01 -0.280541D+01 -0.187609D+01  0.150960D+01
      2  -0.119843D+01  0.111015D+01 -0.238072D+01 -0.268189D+01  0.996488D-01
      3   0.187573D+01  0.248096D+01 -0.138400D-01  0.168113D+01  0.163117D+00
                81            82            83            84            85 
      1   0.119652D+00  0.777673D+00  0.897560D+00 -0.116230D+01  0.389749D+00
      2   0.143603D-01 -0.298100D+00 -0.343140D+00  0.662133D+00 -0.226254D+00
      3   0.595142D+00  0.507303D+01  0.220359D+01 -0.280349D+00  0.544020D+01
                86            87            88            89            90 
      1   0.272024D+01 -0.445667D+01  0.116766D+01  0.208084D+01 -0.101247D+00
      2  -0.498220D+00  0.990940D+00 -0.747624D+00  0.961272D+00  0.521693D-01
      3   0.361423D+01  0.857631D-01 -0.496503D+00 -0.264004D+00 -0.119038D+01
                91            92            93            94            95 
      1  -0.241706D+01  0.759575D+00  0.947129D+00  0.222277D+01  0.193974D+01
      2  -0.107750D+02  0.837619D+00 -0.837238D+01 -0.829568D+00 -0.110373D+01
      3  -0.113355D+02 -0.338782D+01  0.200936D+00  0.107370D+02  0.218329D+02
                96            97            98            99           100 
      1  -0.272406D+01  0.282232D+01  0.330387D+01 -0.104536D+01  0.441349D+01
      2   0.359912D+01 -0.354123D+02  0.482103D+01 -0.280505D+01 -0.124736D+02
      3  -0.587668D+00  0.698460D+00  0.425623D+00 -0.889649D+01  0.145495D+02
               101           102           103           104           105 
      1  -0.235211D+01  0.637924D+00  0.126516D+00 -0.107533D+02 -0.640737D+01
      2  -0.433801D+01  0.213413D+02 -0.304267D+01  0.596583D+01 -0.108310D+02
      3  -0.561568D+01 -0.737060D+00 -0.719729D+00 -0.228864D+02 -0.562061D+01
               106           107           108           109           110 
      1  -0.126862D+01 -0.904471D+00  0.701095D+01  0.528764D+01 -0.193779D+01
      2   0.158720D+02 -0.892591D+01  0.697859D+01  0.150258D+02 -0.188348D+01
      3  -0.376284D+01 -0.443691D+01  0.107509D+02  0.860319D+00  0.128204D+02
               111           112           113           114           115 
      1  -0.793991D+01 -0.109657D+02  0.286991D+01 -0.139335D+02 -0.720707D+01
      2   0.464622D+01 -0.103907D+00  0.167914D+01  0.636347D+01  0.117855D+02
      3   0.207584D+01  0.176830D+02 -0.147854D+02  0.136251D+01  0.571291D+01
               116           117           118           119           120 
      1  -0.414338D+01 -0.269467D+01 -0.616991D+00 -0.630695D+00 -0.373790D+00
      2   0.135433D+01  0.110192D+01 -0.289055D+00  0.411810D+00  0.345789D+01
      3  -0.437267D+00  0.476290D+01 -0.727087D+01 -0.278096D+01  0.158975D+00
               121           122           123           124           125 
      1  -0.830952D+00 -0.351040D+01 -0.260295D+01 -0.243764D+00  0.393015D+00
      2   0.119165D+01  0.549344D+00  0.451666D+01  0.232126D+01  0.236471D+01
      3  -0.141541D+01 -0.232042D+02  0.772788D+00  0.803916D+00 -0.150827D-01
               126           127           128           129           130 
      1   0.827637D-01 -0.221393D+01 -0.330112D+01 -0.507943D-01 -0.279181D+01
      2  -0.415110D+00  0.119990D+02  0.180278D+01  0.685445D+01  0.162910D+01
      3  -0.192816D+01 -0.534668D+01 -0.801845D+01  0.701938D+00 -0.508939D+01
               131           132           133           134           135 
      1  -0.713012D-01 -0.116711D+00  0.636185D+00  0.894465D+00 -0.798369D+00
      2   0.406366D+00  0.267383D+01  0.176639D+01  0.904639D+00  0.437200D+00
      3  -0.433601D+00  0.180361D+01  0.439150D+00  0.165411D+01 -0.151911D+01
               136           137           138           139           140 
      1  -0.173221D+01  0.280523D+01 -0.924566D+00  0.103255D+01 -0.201897D+01
      2  -0.678051D+01  0.340951D+01 -0.129721D+02  0.250920D+01 -0.620254D+01
      3  -0.278401D+01  0.244061D+01 -0.196677D+01  0.200670D+01 -0.237414D+01
               141           142           143           144           145 
      1   0.193349D+01 -0.905571D-01  0.478923D+01 -0.335923D+01  0.233442D+01
      2   0.105701D+02 -0.634004D+01  0.668954D+01 -0.271917D+02 -0.149628D+00
      3   0.552484D+01  0.364621D-01  0.439749D+01 -0.613147D+01  0.431486D+01
               146           147           148           149           150 
      1   0.344272D+00 -0.403082D+00 -0.219312D+00  0.139748D+02  0.302403D+00
      2  -0.118747D+01 -0.166796D+01 -0.103144D+01 -0.555788D+01 -0.639183D+01
      3   0.507127D+00 -0.423077D+00  0.136992D+01  0.264331D+02  0.608471D+01
               151           152           153           154           155 
      1  -0.486207D+00  0.233876D+01  0.114276D+01 -0.439659D+01  0.267428D+01
      2  -0.119989D+01 -0.221836D+01 -0.293001D+01 -0.870918D+01  0.138037D+01
      3  -0.161567D+01  0.257935D+01  0.302872D+01  0.123939D+02 -0.219043D+02
               156           157           158           159           160 
      1   0.404676D+01  0.775063D+01 -0.379152D+01 -0.557571D+00  0.179377D+01
      2   0.207829D+02 -0.253142D+01 -0.194751D+01 -0.900192D+01  0.675737D+01
      3   0.141549D+00 -0.180757D+02  0.183633D+02 -0.155213D+01  0.272744D+00
               161           162           163           164           165 
      1   0.288843D+01 -0.705934D+00 -0.727682D+01  0.214747D+01  0.692059D+00
      2  -0.349049D+01 -0.273699D+01 -0.103591D+02  0.422666D+01  0.971735D+00
      3  -0.760091D+00  0.323572D+01  0.989429D+01 -0.423611D+01  0.481572D+00
               166           167           168           169           170 
      1   0.590533D+01 -0.208130D+00  0.449811D+01 -0.143951D+01  0.865134D+01
      2   0.588446D+01  0.510415D+01 -0.261594D+01 -0.664413D+01  0.989446D+00
      3  -0.240978D+01  0.225576D-01 -0.735951D+01 -0.950309D+00 -0.251241D+01
               171           172           173           174           175 
      1  -0.841852D+00  0.769642D+01 -0.241076D+01  0.180925D+01 -0.627960D+01
      2   0.260215D+02  0.209773D+02 -0.361608D+01 -0.623284D+01 -0.553291D+01
      3  -0.131776D+01 -0.876086D+01  0.245619D+01 -0.121760D+01  0.665446D+01
               176           177           178           179           180 
      1   0.611174D+00 -0.239507D+01  0.253371D+01 -0.764584D+00  0.119835D+01
      2   0.328655D+01  0.243885D+01 -0.171877D+01  0.476210D+00  0.276720D+01
      3  -0.108888D+01 -0.788480D+00 -0.462465D+01  0.489613D+00 -0.203251D+01
               181           182           183           184           185 
      1   0.322346D-01  0.165338D+01  0.667614D+01 -0.738480D+00 -0.111430D+01
      2  -0.130039D+01 -0.217462D+00  0.856801D+01  0.104780D+01  0.136922D+01
      3  -0.221282D+02 -0.116552D+02  0.982394D+00 -0.253830D+01 -0.266519D+02
               186           187           188           189           190 
      1  -0.131152D+01  0.165226D+02  0.635574D+01 -0.250473D+01 -0.161124D+01
      2  -0.310427D+01  0.264961D+01 -0.117160D+02 -0.241773D+01 -0.742417D+01
      3  -0.591727D+00  0.959050D-01 -0.476448D+00 -0.176958D+01 -0.234555D+02
               191           192           193           194           195 
      1   0.420879D+01  0.838610D+00  0.417267D+01 -0.126723D+01  0.423515D+01
      2  -0.341150D+00  0.351530D+01  0.243199D+01 -0.134551D+01 -0.792541D+00
      3   0.177043D+02  0.222200D+01  0.485868D+02  0.237316D+02 -0.341124D+01
               196           197           198           199           200 
      1  -0.244432D+01  0.138003D+02  0.560462D+00  0.162227D+00 -0.323964D+01
      2   0.289298D+01 -0.184441D+01 -0.194409D+01  0.856660D+01  0.136772D+00
      3   0.352121D+01 -0.224061D+01 -0.748407D-01  0.625633D+01 -0.225514D+02
               201           202           203           204           205 
      1  -0.167030D+00 -0.108741D+01  0.107261D+01 -0.363803D+01 -0.156888D+01
      2   0.230484D+01 -0.271236D+01 -0.367049D+00  0.653617D+01 -0.210130D+02
      3  -0.140238D+01 -0.152707D+02 -0.199409D+01  0.181634D+01 -0.204312D+01
               206           207           208           209           210 
      1   0.266236D+01  0.353028D+00  0.145769D+01 -0.367739D+01 -0.108673D+01
      2   0.131370D+02  0.199661D+01  0.120325D+01  0.563326D+00  0.897395D+01
      3   0.213803D+01 -0.707041D+01  0.205290D+02 -0.366892D+02 -0.218442D+01
               211           212           213           214           215 
      1  -0.165672D+00  0.148683D+00 -0.707378D+01  0.367120D+01  0.575890D-03
      2   0.113724D+01 -0.491073D+00  0.773088D+01 -0.460696D+01 -0.430155D+01
      3   0.219803D+01  0.478840D+01  0.463805D+00 -0.203978D+01  0.315027D+01
               216           217           218           219           220 
      1  -0.344260D+00 -0.191384D+01  0.562667D+00 -0.339923D+01  0.327436D+00
      2  -0.411362D+00  0.224906D+01 -0.227595D+01  0.120778D+02 -0.354945D+01
      3   0.158842D+01 -0.324998D+02 -0.139082D+02  0.547373D+01 -0.592195D+01
               221           222           223           224           225 
      1   0.101337D+01  0.100751D+02  0.929708D+01  0.112738D+02  0.172203D+01
      2   0.917731D+00 -0.329588D+02 -0.249910D+01 -0.227393D+02 -0.265778D+01
      3   0.142647D+02 -0.133549D+01  0.450162D+01 -0.622247D+00  0.297358D+02
               226           227           228           229           230 
      1   0.278653D+00  0.260311D+00 -0.132167D+01 -0.124168D+00 -0.243848D+00
      2   0.355625D-01  0.136840D+00  0.281765D+00 -0.123116D+00 -0.367774D+00
      3   0.703540D+01  0.635283D+01 -0.408342D+00  0.555349D+01  0.221436D+02
               231           232           233           234           235 
      1  -0.485482D+01  0.880607D+00  0.217279D+01 -0.154454D+00 -0.984228D+00
      2  -0.519461D+00  0.181716D+00  0.279401D+00 -0.122715D+00 -0.153960D+01
      3   0.337385D+00 -0.578045D+00 -0.224940D+00 -0.761065D+00 -0.340297D+00
               236           237           238           239           240 
      1   0.286944D+00  0.256445D+01  0.302094D+00 -0.106707D+00 -0.311731D+01
      2   0.988993D+00  0.374438D+01  0.102403D+01 -0.125634D+01 -0.395735D+01
      3  -0.653186D+01 -0.119954D+00 -0.639236D+01  0.123027D+02  0.888470D+00
               241           242           243           244           245 
      1  -0.267940D+01  0.106655D+01  0.594129D-01  0.358487D+00  0.351649D+00
      2  -0.323238D+01 -0.103060D+01 -0.728918D-01 -0.438939D+00 -0.603722D+00
      3   0.205247D+00  0.705533D+00  0.148074D+01 -0.105001D+01 -0.102545D+01
               246           247           248           249           250 
      1  -0.533726D+00  0.471534D+00  0.197481D+00 -0.311764D+01 -0.296861D+00
      2   0.267944D+00 -0.547596D+00 -0.314617D+00  0.176951D+01 -0.153148D+01
      3   0.165551D+00 -0.618011D-01 -0.160302D+02 -0.157803D+00  0.194529D+00
               251           252           253           254           255 
      1   0.162099D+01  0.703103D-01 -0.761362D+00  0.152800D+00  0.208723D+01
      2  -0.143374D+01  0.780718D-01  0.525641D+01  0.226520D+00 -0.443639D+01
      3  -0.465355D+00  0.818249D+00 -0.330326D+00  0.465184D+01  0.185872D+01
               256           257           258           259           260 
      1  -0.117454D+01 -0.277602D+01 -0.540578D+01 -0.345032D+01 -0.269192D+01
      2   0.496299D+01  0.982313D+01  0.133670D+02  0.568937D+01  0.144028D+02
      3  -0.436060D+01 -0.175734D+02 -0.112867D+02 -0.588400D+01 -0.156258D+02
               261           262           263           264           265 
      1  -0.949155D+01  0.103256D+01 -0.475230D+00 -0.164132D+01 -0.253235D+00
      2   0.257947D+02 -0.238236D+01 -0.118527D+00  0.922499D+01  0.262035D+00
      3  -0.178420D+02  0.108629D+02 -0.854251D+01 -0.930886D+00 -0.504223D+01
               266           267           268           269           270 
      1   0.207682D+00 -0.881338D+00 -0.187415D+01 -0.296926D+00  0.204638D+00
      2  -0.349120D+00  0.590487D+00  0.658352D+01  0.240940D+01 -0.158929D+01
      3   0.260846D+01  0.610927D+00 -0.972039D+00  0.924096D+00 -0.193581D+01
               271           272           273           274           275 
      1   0.445265D+00  0.102582D+00  0.295320D+01  0.389032D+00  0.117581D+01
      2  -0.526320D+01  0.254994D+01 -0.741567D+01 -0.279149D+01 -0.108706D+02
      3  -0.212383D+00  0.764316D+01 -0.536667D+01 -0.268908D+01 -0.195596D+02
               276           277           278           279 
      1  -0.461512D+01 -0.209325D+01 -0.141511D+01  0.724020D+01
      2   0.144181D+02  0.325513D+01  0.148802D+02 -0.239942D+02
      3   0.132347D+02  0.321031D+01  0.155323D+02 -0.190571D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.679223D+02  0.251108D+02  0.416782D+01 -0.878376D+02 -0.766592D+00
      2   0.316067D+02 -0.166052D+02 -0.260255D+01  0.347517D+02  0.132454D+02
      3   0.363156D+02 -0.850565D+01 -0.156527D+01  0.530859D+02 -0.124788D+02
      4  -0.506672D+01  0.190314D+02  0.113934D+01  0.128756D+02 -0.242177D+02
      5   0.408314D+00 -0.125253D+01 -0.302561D+01 -0.395013D+01  0.170590D+01
      6   0.579573D+00 -0.143012D+01  0.126123D+01  0.220102D+01 -0.144051D+01
                 6             7             8             9            10 
      1   0.705854D+01  0.433900D+01 -0.164760D+01 -0.101155D+02  0.680945D+02
      2  -0.244129D+01 -0.244671D+01  0.198190D+01 -0.505370D+00 -0.165683D+02
      3  -0.461726D+01 -0.189229D+01 -0.334304D+00  0.106209D+02 -0.515262D+02
      4  -0.153895D+01  0.257907D+00 -0.159478D+01 -0.192056D+01  0.351069D+02
      5   0.403540D+01  0.103796D+01 -0.917876D+00  0.168426D+01  0.184545D+00
      6  -0.397849D+00  0.318818D+01  0.509374D+01 -0.928691D+00 -0.327038D+01
                11            12            13            14            15 
      1   0.202586D+02 -0.639921D+01  0.960910D+02 -0.227193D+02 -0.762237D+01
      2  -0.160696D+02  0.745453D+00 -0.366483D+02  0.147469D+02  0.340669D+01
      3  -0.418898D+01  0.565376D+01 -0.594427D+02  0.797238D+01  0.421568D+01
      4   0.136493D+02 -0.145906D+01 -0.288584D+02  0.188042D+02  0.204593D+01
      5  -0.133732D+01 -0.123033D+02  0.275852D+01 -0.697375D+00 -0.180041D+01
      6   0.320831D+00  0.185512D-01 -0.631160D+00  0.200216D+01 -0.229739D+01
                16            17            18            19            20 
      1  -0.396385D+01 -0.166034D+01 -0.603336D+01  0.433574D+02 -0.314633D+02
      2  -0.132533D+00  0.113246D+01 -0.270487D+01 -0.135822D+02  0.187026D+02
      3   0.409639D+01  0.527878D+00  0.873823D+01 -0.297752D+02  0.127607D+02
      4  -0.287646D+01 -0.458089D+00  0.482274D+01 -0.625842D+01 -0.250780D+02
      5   0.199218D+01  0.309315D+01  0.262139D+01  0.206476D+01  0.163345D+01
      6   0.250053D+01  0.399205D+01 -0.221335D+00 -0.978072D+00  0.529647D+01
                21            22            23            24            25 
      1  -0.707210D+01  0.135365D+02  0.176711D+02  0.287119D+01 -0.420749D+01
      2   0.326254D+01 -0.250428D+02 -0.232795D+02  0.669991D-01  0.426964D+00
      3   0.380956D+01  0.115063D+02  0.560849D+01 -0.293819D+01  0.378053D+01
      4   0.314413D+00  0.102449D+02 -0.465403D+00 -0.323983D+00  0.230016D+01
      5  -0.281965D+01 -0.193035D+01  0.110823D+00  0.779168D+01  0.105991D+02
      6  -0.391405D+00  0.538706D+00 -0.237443D+01  0.658664D+01  0.294187D+01
                26            27            28            29            30 
      1   0.784183D+01 -0.121746D+02  0.138328D+02 -0.609062D+01  0.386817D+01
      2  -0.284501D+01  0.574753D+00 -0.326060D+02  0.536788D+01 -0.674432D+00
      3  -0.499683D+01  0.115998D+02  0.187732D+02  0.722740D+00 -0.319374D+01
      4   0.196760D+01  0.686124D+01 -0.182460D+00  0.142836D+02  0.301028D+00
      5   0.878360D+01  0.239681D+01 -0.706144D+01  0.203662D+01  0.951179D+01
      6   0.136831D+02 -0.236641D+01  0.144726D+01 -0.241426D+01  0.252865D+01
                31            32            33            34            35 
      1   0.402489D+02 -0.474522D+02 -0.174170D+01  0.740877D+01 -0.238442D+01
      2  -0.290011D+02  0.417572D+02  0.192148D+01 -0.270527D+01  0.132200D+01
      3  -0.112477D+02  0.569503D+01 -0.179781D+00 -0.470350D+01  0.106243D+01
      4  -0.318493D+02 -0.176725D+02  0.635329D+00 -0.250734D+01 -0.676502D+00
      5  -0.175019D+01  0.196037D+01 -0.272582D+01  0.336804D+02 -0.420450D+01
      6   0.149130D+01  0.546382D+01 -0.433608D+01  0.429505D+01  0.310055D+01
                36            37            38            39            40 
      1   0.112784D+01 -0.223353D+02  0.555462D+02  0.474960D+01 -0.403288D+02
      2  -0.127856D+02  0.129960D+02 -0.385185D+02 -0.112926D+01  0.409523D+02
      3   0.116577D+02  0.933925D+01 -0.170277D+02 -0.362033D+01 -0.623544D+00
      4  -0.546254D+00  0.257354D+02  0.646624D+01 -0.276825D+01  0.185450D+02
      5  -0.477633D+00  0.295113D+00 -0.484403D+01  0.446709D+01  0.305090D+01
      6  -0.751569D+00 -0.389572D+01 -0.463096D+01 -0.959969D+01 -0.166741D+01
                41            42            43            44            45 
      1   0.271508D+02  0.117695D+01  0.338765D+01 -0.629827D+01 -0.119535D+02
      2  -0.257433D+02 -0.274169D+01  0.255650D+01  0.159926D+01 -0.952531D+00
      3  -0.140751D+01  0.156474D+01 -0.594415D+01  0.469901D+01  0.129060D+02
      4   0.246142D+02  0.665445D-01 -0.380402D+01  0.131118D+01 -0.673689D+01
      5  -0.144287D+01 -0.726933D+01  0.142750D+02 -0.679848D+01 -0.237821D+01
      6  -0.400632D+01  0.222554D+01 -0.174281D+02  0.906932D+01  0.468978D+01
                46            47            48            49            50 
      1   0.313382D+02 -0.460831D+02 -0.684035D+01  0.868046D+01  0.758770D+01
      2  -0.234558D+02  0.311628D+02  0.231000D+01 -0.733411D+01 -0.168333D+02
      3  -0.788239D+01  0.149204D+02  0.453034D+01 -0.134635D+01  0.924560D+01
      4  -0.316361D+02 -0.149848D+02  0.214562D+01  0.187264D+02 -0.821054D+01
      5   0.312960D+01  0.246301D+01  0.708024D+00  0.338074D+00 -0.554394D+00
      6   0.257353D+01  0.658233D+01  0.767045D+01 -0.141377D+01 -0.236538D+00
                51            52            53            54            55 
      1  -0.492471D+00 -0.457274D+01  0.290346D+01 -0.204851D+02 -0.213526D+02
      2  -0.979425D+00  0.258291D+01 -0.504150D+01  0.818829D+01  0.366677D+01
      3   0.147190D+01  0.198983D+01  0.213804D+01  0.122969D+02  0.176858D+02
      4  -0.107815D+01  0.338555D+01  0.304952D+01  0.156935D+01  0.208223D+02
      5   0.159730D-01  0.396943D+01 -0.112124D-01  0.234337D+01 -0.370296D+01
      6   0.799568D+01  0.367668D+01  0.202714D+02  0.161870D+01  0.127785D+01
                56            57            58            59            60 
      1  -0.371883D+02 -0.229773D+01  0.401167D+00  0.154618D+02  0.525767D+00
      2   0.335250D+02  0.140566D+01 -0.354470D+01 -0.205873D+02 -0.440312D+00
      3   0.366329D+01  0.892068D+00  0.314354D+01  0.512557D+01 -0.854556D-01
      4  -0.610550D+02 -0.258989D+01  0.150355D+02 -0.944333D+01  0.139906D-01
      5   0.171252D+01 -0.103599D+02  0.743816D+00 -0.117524D+00 -0.624714D+01
      6   0.309536D+01  0.116313D+02 -0.440473D+00 -0.745110D+00  0.947236D+01
                61            62            63            64            65 
      1  -0.555508D+00  0.304659D+01 -0.278002D+02 -0.128481D+01 -0.365903D+01
      2   0.995245D+00 -0.360160D+01  0.143396D+02  0.537638D+01  0.611857D+01
      3  -0.439736D+00  0.555013D+00  0.134606D+02 -0.409157D+01 -0.245954D+01
      4  -0.191801D+01  0.765900D+01 -0.111079D+02  0.809333D+01  0.115388D+02
      5  -0.185803D+01 -0.158998D+02  0.345677D+01 -0.653189D+00 -0.674841D+00
      6   0.375434D+01  0.246178D+02 -0.187169D+01 -0.116341D+01 -0.144151D+01
                66            67            68            69            70 
      1   0.216781D+00 -0.798720D+01 -0.298076D+02  0.114652D+01 -0.784435D+00
      2  -0.114576D+00  0.123655D+02  0.395308D+02 -0.769881D+00  0.448920D+00
      3  -0.102206D+00 -0.437828D+01 -0.972314D+01 -0.376643D+00  0.335515D+00
      4  -0.427391D+00  0.129272D+02  0.218043D+02 -0.490178D+00 -0.336275D+00
      5   0.149157D+01 -0.592260D+00  0.260749D+00  0.233561D+01 -0.280858D-02
      6   0.138886D+01 -0.169667D+01 -0.470469D+01  0.600083D+01  0.145478D+01
                71            72            73            74            75 
      1  -0.161181D+00 -0.256067D+01  0.707911D+01  0.193128D+01  0.213801D-01
      2   0.117255D-02  0.297742D+01  0.100088D+01 -0.798135D+01  0.760383D-01
      3   0.160009D+00 -0.416742D+00 -0.807998D+01  0.605008D+01 -0.974184D-01
      4  -0.500818D+00  0.682816D+00 -0.207638D+02  0.174937D+02  0.153784D+01
      5   0.300990D-01 -0.275886D+00 -0.470605D+01  0.188086D+01  0.415863D+01
      6   0.216870D+01 -0.288597D+00  0.267530D+01 -0.251187D+01 -0.232011D+01
                76            77            78            79            80 
      1   0.469300D+01 -0.122147D+02 -0.139371D+01 -0.115200D+01 -0.531220D+00
      2  -0.128439D+02  0.215105D+02  0.110868D+01  0.769665D-02  0.850594D+00
      3   0.815095D+01 -0.929586D+01  0.285037D+00  0.114430D+01 -0.319373D+00
      4   0.232870D+02 -0.250044D+02 -0.209171D+01  0.156450D+01 -0.137998D+01
      5   0.301110D+01 -0.245117D+01 -0.370134D+01  0.585506D-01 -0.119553D+01
      6  -0.378223D+01  0.460386D+01  0.489702D+01  0.106061D+01  0.200803D+01
                81            82            83            84            85 
      1   0.121505D+00 -0.369241D+01 -0.753491D+01  0.338274D+00 -0.576261D+01
      2   0.783479D+00  0.627088D+01  0.110291D+02 -0.249322D+00  0.741015D+01
      3  -0.904984D+00 -0.257847D+01 -0.349419D+01 -0.889516D-01 -0.164754D+01
      4  -0.204978D+01  0.451750D+01  0.119064D+02  0.223137D+00  0.767593D+01
      5  -0.221242D+00  0.809223D+00  0.120443D+01  0.184615D+01  0.760395D+00
      6   0.340685D+00  0.603691D+00  0.321572D+00  0.149325D+01  0.802440D+00
                86            87            88            89            90 
      1  -0.452516D+02 -0.891453D+00  0.713032D+00  0.114526D+00 -0.135951D+01
      2   0.599945D+02  0.521815D+00 -0.534107D+00 -0.593237D-01  0.171758D+01
      3  -0.147429D+02  0.369638D+00 -0.178924D+00 -0.552026D-01 -0.358071D+00
      4   0.144532D+02  0.340081D+00 -0.186845D+00 -0.715279D+00  0.194723D+01
      5   0.284064D+01  0.112190D+01  0.904462D+00  0.160145D+01 -0.461557D-01
      6   0.450141D+01  0.703607D+01 -0.176045D+00  0.243988D+01 -0.223980D-01
                91            92            93            94            95 
      1  -0.100573D+02  0.708016D+01 -0.102701D+02  0.996783D+01  0.910973D+01
      2   0.187030D+02 -0.782626D+01 -0.144388D+01 -0.133192D+02 -0.170816D+02
      3  -0.864567D+01  0.746102D+00  0.117140D+02  0.335138D+01  0.797187D+01
      4   0.842593D+01 -0.273226D+01 -0.103850D+01 -0.443079D+01 -0.404093D+02
      5   0.694171D+00 -0.248229D+01 -0.251528D+02 -0.131875D+02 -0.553479D+00
      6  -0.234183D+01  0.252618D+01  0.759395D+00 -0.166069D+00  0.539223D+01
                96            97            98            99           100 
      1  -0.583920D+01 -0.310622D+01 -0.613800D+00 -0.262863D+02 -0.671959D+02
      2   0.881693D+01 -0.621207D+01  0.618389D+00  0.216501D+02  0.357718D+02
      3  -0.297774D+01  0.931829D+01 -0.458909D-02  0.463625D+01  0.314242D+02
      4  -0.773419D+00 -0.315972D+01 -0.975641D+00  0.852668D+01 -0.241491D+02
      5   0.835795D+01 -0.613393D+02  0.995054D+01  0.686409D+01  0.326339D+02
      6   0.171150D+01  0.177032D+01  0.523514D+00 -0.346491D+01  0.110869D+02
               101           102           103           104           105 
      1  -0.183084D+02  0.297221D+02 -0.290575D+02  0.111939D+02 -0.589474D+01
      2   0.741717D+01 -0.145453D+01  0.206061D+02 -0.743809D+01 -0.101301D+02
      3   0.108912D+02 -0.282676D+02  0.845143D+01 -0.375580D+01  0.160248D+02
      4   0.565252D+01  0.271137D+00  0.294103D+01  0.375382D+02  0.976795D+01
      5   0.459364D+01  0.197847D+02  0.149009D+02  0.627269D+01 -0.172875D+02
      6  -0.356794D+01  0.193940D+01 -0.183179D+01 -0.180880D+02 -0.603864D+01
               106           107           108           109           110 
      1   0.214802D+01 -0.724631D+01  0.344024D+02 -0.929803D+02  0.190337D+02
      2   0.169634D+02 -0.527729D+01 -0.157231D+02  0.391621D+02 -0.235623D+01
      3  -0.191114D+02  0.125236D+02 -0.186793D+02  0.538182D+02 -0.166775D+02
      4   0.214863D+01  0.651240D+01 -0.156570D+02  0.314574D+02 -0.206876D+02
      5   0.428130D+02 -0.143963D+02 -0.190735D+02 -0.135986D+02  0.699797D+01
      6  -0.203716D+01 -0.345717D+01  0.138243D+02  0.595428D+01 -0.156974D+01
               111           112           113           114           115 
      1  -0.620654D+01  0.307025D+02 -0.134724D+02  0.287792D+01  0.256665D+02
      2   0.248202D+01 -0.774535D+01  0.948415D+01 -0.193213D+01 -0.175168D+02
      3   0.372453D+01 -0.229571D+02  0.398822D+01 -0.945790D+00 -0.814969D+01
      4   0.426265D+01 -0.456035D+01  0.213512D+02  0.100270D+01 -0.100825D+01
      5  -0.115941D+01  0.118435D+02 -0.875376D+00  0.162166D+01  0.271436D+02
      6   0.321591D+01 -0.182527D+01  0.331033D+01  0.120781D+01 -0.360627D+01
               116           117           118           119           120 
      1   0.112555D+01  0.265142D+02 -0.386217D+01  0.650268D+01  0.160567D+01
      2   0.779330D+00 -0.601132D+01  0.726952D+01 -0.155181D+01 -0.706392D+00
      3  -0.190488D+01 -0.205028D+02 -0.340735D+01 -0.495087D+01 -0.899276D+00
      4   0.399682D+01 -0.582326D+01  0.117358D+02  0.105821D+02 -0.823747D+00
      5  -0.590657D+01  0.677064D+01  0.610376D+00 -0.123372D+01  0.762135D+01
      6  -0.327000D+01 -0.284696D+01 -0.125837D+01 -0.101402D+01  0.234539D+00
               121           122           123           124           125 
      1   0.107258D+02 -0.125285D+02  0.271072D+01  0.273073D+01 -0.309732D+00
      2  -0.492212D+00  0.266926D+02 -0.146911D+01 -0.149130D+01  0.172424D+01
      3  -0.102336D+02 -0.141640D+02 -0.124161D+01 -0.123943D+01 -0.141451D+01
      4   0.183148D+02  0.482404D+02 -0.197661D+01 -0.704926D-01  0.246249D-01
      5  -0.604426D+00 -0.185336D+01  0.102406D+02  0.968606D+01  0.515072D+01
      6  -0.157387D+01 -0.620773D+01  0.465172D+01  0.151763D+01  0.552590D+01
               126           127           128           129           130 
      1   0.106411D+01  0.109847D+03  0.113239D+02 -0.196361D+02  0.200712D+02
      2  -0.413872D+00 -0.650755D+02 -0.540787D+01  0.172263D+02 -0.109800D+02
      3  -0.650234D+00 -0.447719D+02 -0.591606D+01  0.240982D+01 -0.909121D+01
      4   0.558189D+01  0.173519D+02  0.145628D+02 -0.318039D+01  0.178973D+02
      5  -0.199771D+01 -0.600467D+02 -0.514059D+01  0.282566D+02 -0.127199D+02
      6  -0.539675D+00 -0.728494D+01 -0.560968D+01  0.152012D+01 -0.620263D+01
               131           132           133           134           135 
      1   0.929448D+01 -0.229929D+01 -0.754918D+01  0.604217D+00  0.626578D+01
      2  -0.379485D+01  0.401119D+01  0.741871D+01  0.124632D+01 -0.664328D+01
      3  -0.549963D+01 -0.171190D+01  0.130475D+00 -0.185054D+01  0.377506D+00
      4   0.349701D+01 -0.493866D+01 -0.835892D+00 -0.207269D+01  0.365791D+01
      5  -0.660321D+01  0.797061D+01  0.154843D+02  0.339778D+01 -0.665903D+01
      6  -0.762153D+00  0.333163D+01  0.144991D+01  0.166282D+01 -0.195385D+01
               136           137           138           139           140 
      1  -0.485571D+01  0.710666D+01 -0.212239D+02  0.814834D+01 -0.980377D+01
      2  -0.978796D+00 -0.157287D+01 -0.169951D+01 -0.490330D+01  0.200864D+01
      3   0.583451D+01 -0.553379D+01  0.229234D+02 -0.324504D+01  0.779513D+01
      4   0.358335D+01 -0.403723D+01  0.301224D+01  0.129661D+01  0.427627D+01
      5  -0.117639D+01  0.310048D+00 -0.113738D+02 -0.569018D+01 -0.751809D+01
      6  -0.317936D+01  0.466116D+01 -0.439467D+01  0.210450D+00 -0.591413D+01
               141           142           143           144           145 
      1   0.122603D+02 -0.953905D+01  0.819862D+01 -0.364619D+02  0.660126D+01
      2   0.356552D+01  0.307413D+01  0.207130D+01 -0.123514D+02 -0.177629D+01
      3  -0.158258D+02  0.646492D+01 -0.102699D+02  0.488133D+02 -0.482496D+01
      4  -0.102776D+02 -0.526501D+00 -0.881660D+01  0.115432D+02 -0.481887D+01
      5   0.159841D+02  0.505819D+01  0.865218D+01 -0.362690D+02 -0.393829D+01
      6   0.113261D+02 -0.888818D-01  0.920282D+01 -0.119559D+02  0.234382D+01
               146           147           148           149           150 
      1  -0.504401D+01 -0.504681D+01 -0.117030D+02 -0.991653D+01 -0.297294D+01
      2   0.277423D+01  0.580897D+00  0.720694D+01  0.132809D+02 -0.238588D+01
      3   0.226978D+01  0.446592D+01  0.449608D+01 -0.336433D+01  0.535882D+01
      4   0.301941D+01  0.750312D+00  0.106496D+02 -0.469140D+02 -0.127993D+02
      5   0.223808D+01 -0.119369D+01  0.122709D+02 -0.118190D+02 -0.154554D+02
      6   0.161949D-01 -0.401241D-01 -0.398294D+01  0.258866D+02  0.108180D+02
               151           152           153           154           155 
      1  -0.826016D+00 -0.194943D+01 -0.660257D+01  0.191255D+03 -0.303416D+02
      2  -0.328416D+00 -0.423287D+00  0.101513D+01 -0.896482D+02  0.941534D+01
      3   0.115443D+01  0.237272D+01  0.558745D+01 -0.101607D+03  0.209262D+02
      4   0.180200D+01 -0.568714D+01 -0.523734D+01 -0.420690D+02  0.385390D+02
      5   0.695684D+00 -0.525241D+01 -0.364209D+01  0.328196D+02 -0.651524D+01
      6  -0.135325D+01  0.746416D+01  0.340072D+01 -0.524908D+01  0.465493D+01
               156           157           158           159           160 
      1   0.666207D+01 -0.411881D+02  0.346639D+02 -0.896890D+00  0.634577D+01
      2  -0.809224D+01  0.136378D+02 -0.934380D+01  0.176377D+01 -0.735671D+01
      3   0.143017D+01  0.275502D+02 -0.253201D+02 -0.866877D+00  0.101094D+01
      4  -0.298750D+01  0.530040D+02 -0.379450D+02  0.273187D+01 -0.300278D+01
      5   0.350472D+02 -0.928618D+01  0.754775D+01 -0.116597D+02  0.339686D+02
      6  -0.195735D+01  0.909667D+01 -0.650733D+01  0.542578D+01 -0.412821D+01
               161           162           163           164           165 
      1  -0.966794D+00  0.196323D+02  0.492247D+02 -0.899257D+01  0.159159D+02
      2   0.128591D+01 -0.132118D+02 -0.353232D+02  0.365567D+01 -0.105665D+02
      3  -0.319111D+00 -0.642049D+01 -0.139015D+02  0.533691D+01 -0.534945D+01
      4   0.168229D+00 -0.781369D+01 -0.904005D+01  0.808457D+01  0.120023D+01
      5  -0.869622D+01  0.377399D+01  0.343217D+02 -0.103763D+01  0.187111D+02
      6   0.475966D+01 -0.179954D+01 -0.353806D+01  0.163275D+01  0.682498D+00
               166           167           168           169           170 
      1  -0.167223D+02 -0.566766D+01 -0.563850D-01 -0.257019D+01  0.498089D+00
      2   0.910310D+01  0.955473D+00  0.844738D+00 -0.286654D+01 -0.849578D+00
      3   0.761916D+01  0.471218D+01 -0.788353D+00  0.543673D+01  0.351488D+00
      4   0.649204D+01  0.131575D+01  0.111991D+02  0.412882D+01  0.529823D+01
      5  -0.745041D+01  0.113785D+02 -0.262073D+01  0.162955D+02  0.376188D+01
      6   0.166600D+01  0.566539D+00  0.113457D+02  0.302763D+01  0.107885D+02
               171           172           173           174           175 
      1  -0.326797D+02 -0.492609D+02  0.773972D+01  0.536616D+01  0.144495D+02
      2  -0.142700D+02  0.319283D+02 -0.385700D+01  0.630042D+01 -0.954269D+01
      3   0.469497D+02  0.173325D+02 -0.388272D+01 -0.116666D+02 -0.490685D+01
      4   0.616214D+01  0.703557D+01 -0.496110D+01 -0.108311D+01 -0.111196D+01
      5   0.465377D+02 -0.277526D+02  0.152600D+01 -0.166769D+02  0.689403D+01
      6   0.396270D+01  0.296075D+01 -0.388265D+01 -0.179854D+01 -0.109729D+01
               176           177           178           179           180 
      1  -0.687682D+01 -0.183439D+01 -0.111200D+02  0.319384D+00 -0.107739D+02
      2   0.411955D+01 -0.117682D+01  0.148236D+02 -0.732587D+00  0.639618D+01
      3   0.275727D+01  0.301121D+01 -0.370359D+01  0.413203D+00  0.437776D+01
      4   0.251921D+01  0.331959D+01  0.229417D+01 -0.181308D+00  0.124884D+01
      5   0.187386D+01  0.516203D+01 -0.147615D+02  0.107363D+01 -0.468638D+01
      6   0.262054D+01  0.366286D+01 -0.140903D+01  0.130895D+01  0.790747D+00
               181           182           183           184           185 
      1   0.303069D+02  0.552030D+02  0.891404D+00 -0.417843D+02  0.195693D+02
      2  -0.151571D+02 -0.450719D+02 -0.290476D+00  0.332594D+02 -0.244465D+02
      3  -0.151498D+02 -0.101312D+02 -0.600928D+00  0.852491D+01  0.487716D+01
      4   0.284971D+01  0.434839D+02 -0.321602D+01  0.722201D+00  0.388760D+02
      5   0.613741D+01 -0.629613D+01  0.161006D+02  0.468090D+00  0.137878D+01
      6  -0.432002D+01  0.205711D+01 -0.128359D+02  0.123323D+01 -0.169616D+01
               186           187           188           189           190 
      1   0.207453D+01  0.141568D+01 -0.676149D+01  0.516061D+01  0.120610D+03
      2  -0.233011D+01  0.109623D+01  0.367190D+01 -0.853720D+01 -0.606217D+02
      3   0.255578D+00 -0.251191D+01  0.308959D+01  0.337659D+01 -0.599883D+02
      4   0.164100D+01 -0.519346D+01 -0.611599D+00 -0.249065D+02  0.102122D+02
      5  -0.904630D+01  0.370877D+02 -0.199068D+02 -0.384746D+01  0.326136D+01
      6   0.312425D+01 -0.246251D+02  0.145550D+02  0.401616D+01 -0.186206D+01
               191           192           193           194           195 
      1  -0.166542D+01 -0.640400D+01 -0.332101D+02 -0.423725D+02  0.853198D+00
      2  -0.109130D+02  0.138993D+01  0.344160D+01  0.468417D+02  0.147270D+01
      3   0.125784D+02  0.501407D+01  0.297685D+02 -0.446923D+01 -0.232590D+01
      4   0.223681D+02 -0.503743D+00 -0.443225D+02 -0.666067D+02  0.159856D+01
      5   0.555212D+00  0.844552D+01 -0.167148D+01  0.508093D+00 -0.119825D+01
      6   0.111567D+01 -0.247475D+01  0.280861D+01  0.914308D+00 -0.822385D+01
               196           197           198           199           200 
      1  -0.215427D+01 -0.209451D+01  0.232447D+02 -0.105630D+03 -0.233993D+02
      2   0.136845D+01  0.240531D+01 -0.209961D+02  0.356868D+02  0.248836D+02
      3   0.785820D+00 -0.310801D+00 -0.224852D+01  0.699427D+02 -0.148431D+01
      4  -0.325011D+01 -0.282784D+01 -0.372466D+00 -0.347756D+02 -0.339843D+02
      5   0.503102D+02 -0.542377D+01 -0.426603D+01  0.184591D+01  0.344102D+01
      6  -0.121903D+01  0.459295D+01 -0.484674D+00  0.439904D+01  0.920655D+00
               201           202           203           204           205 
      1   0.636744D+01  0.788782D+02  0.152830D+02 -0.380650D+01  0.970473D+01
      2  -0.232150D+01 -0.473473D+02 -0.238108D+02  0.194095D+01 -0.444796D+01
      3  -0.404594D+01 -0.315309D+02  0.852779D+01  0.186555D+01 -0.525676D+01
      4   0.346169D+01  0.282969D+02  0.228831D+02 -0.169111D+01  0.541985D+01
      5   0.524367D+01 -0.119612D+01 -0.444667D+00  0.135528D+02  0.208721D+01
      6   0.273775D+00 -0.188407D+01 -0.732761D+00  0.877885D+01  0.218209D+01
               206           207           208           209           210 
      1   0.525647D+01 -0.164867D+02  0.306961D+02 -0.633103D+01  0.440911D+00
      2  -0.415705D+01 -0.224866D+01 -0.201539D+02  0.599177D+01  0.181236D+01
      3  -0.109942D+01  0.187354D+02 -0.105422D+02  0.339258D+00 -0.225327D+01
      4   0.339298D+01  0.177455D+02 -0.164707D+02  0.870230D+01  0.729370D+00
      5   0.221021D+02  0.357928D+01 -0.375011D+01 -0.994195D-02  0.179086D+02
      6   0.105870D+02 -0.803990D-01  0.101787D+01 -0.136293D+01  0.312633D+01
               211           212           213           214           215 
      1  -0.198251D+02  0.456959D+01  0.364611D+01 -0.945017D+00 -0.119223D+00
      2   0.116776D+02 -0.269080D+01 -0.173907D+01  0.180233D+01 -0.570513D+00
      3   0.814748D+01 -0.187878D+01 -0.190704D+01 -0.857318D+00  0.689737D+00
      4   0.265844D+02 -0.176320D+02 -0.149139D+01  0.113952D+01 -0.541811D+00
      5   0.290082D+01 -0.344187D+00  0.141672D+02  0.119339D+02 -0.424943D+01
      6  -0.309360D+00  0.268001D+00  0.124740D+02 -0.987513D+00  0.403195D+01
               216           217           218           219           220 
      1   0.525950D+01 -0.929453D+02 -0.237937D+01  0.127918D+02  0.185518D+02
      2  -0.279960D+01  0.522764D+02  0.455839D+01 -0.701803D+01 -0.589117D+01
      3  -0.245990D+01  0.406689D+02 -0.217902D+01 -0.577380D+01 -0.126606D+02
      4  -0.541466D+01  0.199439D+01  0.241243D+02 -0.258786D+01  0.160402D+01
      5  -0.287988D+01  0.115461D+02 -0.300183D+01  0.181464D+02 -0.668123D+01
      6   0.460088D+00  0.711777D+00 -0.241459D+01  0.763114D+01 -0.214974D+01
               221           222           223           224           225 
      1   0.191012D+02 -0.107793D+02  0.106317D+02 -0.594732D+01  0.247914D+02
      2  -0.907718D+01  0.353457D+01 -0.597642D+01  0.196092D+01 -0.190848D+02
      3  -0.100240D+02  0.724470D+01 -0.465528D+01  0.398640D+01 -0.570662D+01
      4   0.511678D+01 -0.124183D+00 -0.410638D+01 -0.193890D+01 -0.387139D+02
      5  -0.635086D-01 -0.632870D+02 -0.488794D+01 -0.417820D+02 -0.757266D+01
      6   0.115110D+01 -0.258098D+02 -0.789003D+01 -0.193304D+02  0.738223D-01
               226           227           228           229           230 
      1  -0.644565D+01 -0.151330D+02  0.526215D+00 -0.535255D+01 -0.555685D+02
      2   0.784471D+01  0.166414D+02 -0.310607D+00  0.534922D+01  0.733996D+02
      3  -0.139906D+01 -0.150832D+01 -0.215608D+00  0.332888D-02 -0.178311D+02
      4   0.542855D+00  0.469094D+01  0.248624D+00  0.342432D+01 -0.216274D+02
      5   0.382853D+00  0.674222D+00  0.109063D+01  0.125424D+00  0.200569D+01
      6  -0.301177D+00 -0.869568D+00  0.186872D+01  0.145817D+00 -0.947663D+00
               231           232           233           234           235 
      1  -0.577698D+00  0.753998D+00  0.131573D+00 -0.425435D+00  0.364660D+02
      2   0.687916D+00 -0.518982D+00  0.163398D+00  0.133049D+01 -0.717040D+01
      3  -0.110218D+00 -0.235016D+00 -0.294971D+00 -0.905058D+00 -0.292956D+02
      4   0.362463D-02 -0.184995D-01 -0.738918D+00  0.999756D+00 -0.517500D+02
      5  -0.197320D+01  0.227311D+01  0.595509D+00 -0.307317D+00 -0.360475D+01
      6   0.769604D+01 -0.815330D+00  0.259528D+01  0.108670D+00  0.278364D+01
               236           237           238           239           240 
      1  -0.186313D+02 -0.248805D+01 -0.175436D+02  0.902496D+01  0.823595D+00
      2  -0.189540D+01  0.653077D+00 -0.739392D+01  0.159028D+02  0.834096D+00
      3   0.205267D+02  0.183497D+01  0.249375D+02 -0.249278D+02 -0.165769D+01
      4   0.416641D+02  0.439653D+01  0.493720D+02 -0.540431D+02 -0.441857D+01
      5   0.227018D+01  0.687841D+01  0.230805D+01 -0.202184D+01 -0.630443D+01
      6  -0.212223D+01 -0.394834D+01 -0.232202D+01  0.279959D+01  0.552510D+01
               241           242           243           244           245 
      1  -0.349567D+01  0.148425D+01 -0.525119D+00  0.102360D+02  0.110827D+02
      2   0.558981D+00  0.452836D+00  0.123890D+01 -0.277040D+01 -0.374304D+01
      3   0.293668D+01 -0.193709D+01 -0.713777D+00 -0.746557D+01 -0.733969D+01
      4   0.524582D+01 -0.432883D+01 -0.301599D+01  0.167120D+02  0.133242D+02
      5  -0.896752D+00 -0.214412D+01 -0.804408D+00 -0.324284D+00 -0.522198D+00
      6   0.118257D+01  0.216391D+01  0.511694D+00 -0.124845D+00 -0.451350D+00
               246           247           248           249           250 
      1  -0.493686D+00  0.991771D+01 -0.670830D+01 -0.555187D+00 -0.420316D+00
      2   0.259289D+00  0.158340D+01  0.195686D+02  0.128188D-01  0.246763D+00
      3   0.234397D+00 -0.115011D+02 -0.128603D+02  0.542369D+00  0.173553D+00
      4  -0.102287D+01  0.241519D+02  0.401707D+02 -0.572355D+00 -0.685019D+00
      5   0.100443D+01  0.157401D+00  0.143987D+01  0.350875D+01  0.536627D+00
      6   0.238004D+00 -0.344673D-01  0.142472D+00  0.434075D+01  0.170258D+01
               251           252           253           254           255 
      1  -0.118131D+01 -0.105172D+01  0.325777D+01  0.325737D+01  0.834775D+01
      2   0.688600D+00  0.191390D+01 -0.182272D+01 -0.297826D+01 -0.391697D+01
      3   0.492713D+00 -0.862183D+00 -0.143504D+01 -0.279112D+00 -0.443078D+01
      4  -0.275748D-01 -0.352587D+00 -0.162350D+01 -0.362925D+01  0.175350D+01
      5  -0.124079D+01 -0.789647D-01  0.615766D+01  0.295756D+00 -0.688443D+01
      6   0.101626D+01  0.294265D-01  0.212846D+01 -0.600084D+00 -0.404792D+01
               256           257           258           259           260 
      1   0.590178D+01 -0.152627D+01 -0.481246D+00  0.259384D+02  0.499068D+01
      2  -0.310187D-01  0.851073D+01  0.500185D+01 -0.119601D+02  0.204676D+01
      3  -0.587076D+01 -0.698446D+01 -0.452060D+01 -0.139783D+02 -0.703744D+01
      4   0.190087D+02  0.276285D+02  0.191641D+02  0.250616D+02  0.267798D+02
      5   0.117207D+02  0.200786D+02  0.264948D+02  0.229844D+02  0.281719D+02
      6   0.511146D+01  0.981100D+01  0.126791D+02  0.946378D+01  0.138317D+02
               261           262           263           264           265 
      1  -0.577009D+01  0.199755D+03  0.138214D+02 -0.125159D+02 -0.119083D+02
      2   0.115056D+01 -0.103347D+03 -0.420756D+01  0.739148D+01  0.939878D+01
      3   0.461953D+01 -0.964082D+02 -0.961388D+01  0.512445D+01  0.250949D+01
      4   0.261899D+02  0.369818D+02  0.186297D+02 -0.229229D+01  0.163898D+02
      5   0.506371D+02 -0.149838D+02 -0.100349D+01  0.184416D+02  0.767696D+00
      6   0.182069D+02 -0.218826D+01 -0.821264D+00  0.304385D+01 -0.704209D+00
               266           267           268           269           270 
      1   0.144659D+02  0.112218D+01 -0.137600D+02 -0.451118D+00  0.138797D+02
      2  -0.701869D+01 -0.861859D+00  0.821557D+01  0.109365D+00 -0.790712D+01
      3  -0.744717D+01 -0.260320D+00  0.554439D+01  0.341752D+00 -0.597259D+01
      4  -0.732603D+00 -0.138137D+01 -0.259566D+01 -0.162948D+01  0.589144D+01
      5  -0.157867D+01  0.840335D+00  0.216367D+02  0.502755D+01 -0.416547D+01
      6  -0.123508D+00  0.183082D+01  0.302482D+01  0.288349D+01 -0.727253D+00
               271           272           273           274           275 
      1  -0.113271D+01  0.501024D+01 -0.125275D+02  0.536369D+01 -0.718977D+01
      2  -0.539691D-02 -0.456939D+01  0.540651D+01 -0.919126D+00  0.109872D+02
      3   0.113811D+01 -0.440849D+00  0.712100D+01 -0.444457D+01 -0.379740D+01
      4  -0.373123D+01 -0.710428D+01  0.235804D+01  0.164204D+02  0.286574D+02
      5  -0.507046D+01  0.364381D+01 -0.118676D+02 -0.830994D+01 -0.204237D+02
      6  -0.158812D+01  0.351356D+01 -0.671718D+01 -0.465714D+01 -0.128218D+02
               276           277           278           279 
      1   0.757121D+01 -0.217507D+02  0.239212D+01 -0.132826D+02
      2  -0.728164D+01  0.106187D+02 -0.397093D+01  0.250569D+01
      3  -0.289568D+00  0.111320D+02  0.157881D+01  0.107769D+02
      4  -0.206297D+02 -0.186668D+02 -0.244566D+02  0.262381D+02
      5   0.273750D+02  0.179886D+02  0.274563D+02 -0.440832D+02
      6   0.150064D+02  0.839319D+01  0.156628D+02 -0.196055D+02
 Leave Link  716 at Fri Aug 13 15:36:41 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.300754D+03 -0.917743D+01 -0.130669D+02
      2  -0.917743D+01  0.173544D+03  0.212507D+01
      3  -0.130669D+02  0.212507D+01  0.122047D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.295662D+01 -0.253932D+02  0.292056D+01
      2   0.454851D+02  0.844360D+00  0.290163D+02
      3   0.780045D+02  0.702690D+02 -0.275353D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.275744D+03 -0.879030D+02  0.433196D+02
      2   0.872238D+02  0.685517D+02  0.654152D+01
      3   0.188521D+03  0.193513D+02 -0.498611D+02
      4  -0.799840D+02 -0.173018D+03 -0.109766D+01
      5  -0.344265D+02 -0.254624D+01  0.711136D+02
      6  -0.361163D+01 -0.464354D+02 -0.124960D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.320301D+02 -0.196249D+01 -0.199547D+01  0.473770D+02 -0.812796D+01
      2  -0.196249D+01 -0.468470D+00  0.331325D+00 -0.812796D+01  0.844882D+01
      3  -0.199547D+01  0.331325D+00 -0.105757D+00 -0.371436D+01  0.805300D+00
                 6             7             8             9            10 
      1  -0.371436D+01 -0.121773D+01 -0.875443D-02  0.118326D+01 -0.356662D+02
      2   0.805300D+00 -0.875443D-02  0.139380D+00  0.136724D+01  0.289644D+01
      3  -0.282361D+00  0.118326D+01  0.136724D+01 -0.510927D-01  0.223915D+01
                11            12            13            14            15 
      1   0.289644D+01  0.223915D+01 -0.472483D+02  0.742884D+01  0.377683D+01
      2  -0.410448D+01 -0.244779D+00  0.742884D+01 -0.672896D+01 -0.853317D+00
      3  -0.244779D+00  0.229304D+00  0.377683D+01 -0.853317D+00  0.332824D+00
                16            17            18            19            20 
      1   0.177511D+01 -0.170294D+00 -0.118089D+01 -0.422553D+02  0.527147D+01
      2  -0.170294D+00  0.293001D+00 -0.118428D+01  0.527147D+01 -0.440371D+01
      3  -0.118089D+01 -0.118428D+01 -0.207946D-01  0.216172D+01 -0.293206D+00
                21            22            23            24            25 
      1   0.216172D+01  0.188490D+02 -0.211468D+01 -0.325083D+00  0.420415D+01
      2  -0.293206D+00 -0.211468D+01  0.359637D+01  0.257658D+00  0.138175D+00
      3  -0.421969D+00 -0.325083D+00  0.257658D+00  0.238202D+01  0.127544D+01
                26            27            28            29            30 
      1   0.138175D+00  0.127544D+01  0.467564D+02 -0.311175D+01 -0.135857D+01
      2   0.192889D+00  0.377488D+01 -0.311175D+01  0.388216D+01  0.257995D+00
      3   0.377488D+01  0.855798D-02 -0.135857D+01  0.257995D+00  0.239245D+01
                31            32            33            34            35 
      1  -0.591169D+01  0.689021D+00  0.244603D+00  0.157997D+00  0.498157D-01
      2   0.689021D+00 -0.799477D+01 -0.566843D+00  0.498157D-01 -0.966574D+00
      3   0.244603D+00 -0.566843D+00 -0.599082D+00  0.679553D+01 -0.739339D+00
                36            37            38            39            40 
      1   0.679553D+01  0.865458D+01 -0.119542D+00 -0.369370D+00 -0.878635D+01
      2  -0.739339D+00 -0.119542D+00  0.905194D+01  0.308583D+00  0.188059D+01
      3  -0.764794D+00 -0.369370D+00  0.308583D+00  0.220489D+01  0.323427D-01
                41            42            43            44            45 
      1   0.188059D+01  0.323427D-01 -0.101085D+01 -0.146018D+00  0.427282D+01
      2   0.372301D+01  0.105131D+00 -0.146018D+00 -0.661428D+00 -0.236839D+01
      3   0.105131D+00 -0.107315D+01  0.427282D+01 -0.236839D+01 -0.126695D+01
                46            47            48            49            50 
      1  -0.122320D+02  0.107362D+01  0.114207D+01 -0.110127D+01  0.128865D+01
      2   0.107362D+01 -0.574925D+01 -0.912511D+00  0.128865D+01 -0.770796D+00
      3   0.114207D+01 -0.912511D+00 -0.183300D+01  0.669731D-02  0.434122D-03
                51            52            53            54            55 
      1   0.669731D-02  0.775768D+00 -0.460136D+00 -0.114536D+01  0.145553D+02
      2   0.434122D-03 -0.460136D+00  0.623796D+00 -0.404973D+01 -0.366816D+01
      3  -0.166382D+01 -0.114536D+01 -0.404973D+01 -0.963430D-01 -0.107974D+01
                56            57            58            59            60 
      1  -0.366816D+01 -0.107974D+01 -0.583209D+00 -0.117167D+01  0.211465D+00
      2   0.104500D+02  0.692424D+00 -0.117167D+01  0.169936D+00 -0.403852D-01
      3   0.692424D+00  0.211981D+01  0.211465D+00 -0.403852D-01  0.181499D+01
                61            62            63            64            65 
      1  -0.111852D+01  0.600539D+00  0.103132D+01  0.104643D+01  0.216740D+01
      2   0.600539D+00 -0.107189D+01  0.408702D+01  0.216740D+01  0.154624D+01
      3   0.103132D+01  0.408702D+01 -0.246472D+00 -0.679717D-01 -0.167000D+00
                66            67            68            69            70 
      1  -0.679717D-01  0.242537D+01  0.298928D+01 -0.143808D+00 -0.228328D+00
      2  -0.167000D+00  0.298928D+01  0.756849D+01 -0.238523D+00 -0.161198D+00
      3   0.159249D+00 -0.143808D+00 -0.238523D+00  0.741482D+00 -0.949861D-01
                71            72            73            74            75 
      1  -0.161198D+00 -0.949861D-01  0.595904D+01 -0.287967D+01 -0.594605D+00
      2  -0.488230D-01  0.748183D-01 -0.287967D+01  0.265744D+01  0.258363D+00
      3   0.748183D-01 -0.524222D-01 -0.594605D+00  0.258363D+00  0.487389D+00
                76            77            78            79            80 
      1  -0.397498D+01  0.409667D+01  0.464303D+00 -0.681440D+00  0.200381D+00
      2   0.409667D+01 -0.491637D+01 -0.449080D+00  0.200381D+00 -0.218621D+00
      3   0.464303D+00 -0.449080D+00 -0.694667D+00 -0.366525D+00 -0.209502D+00
                81            82            83            84            85 
      1  -0.366525D+00 -0.101274D+01 -0.150207D+01  0.415492D-01 -0.744831D+00
      2  -0.209502D+00 -0.150207D+01 -0.208765D+01  0.639674D-01 -0.143238D+01
      3   0.453159D-01  0.415492D-01  0.639674D-01 -0.149098D+00 -0.626143D-01
                86            87            88            89            90 
      1  -0.143238D+01 -0.626143D-01  0.181925D+00  0.110415D+00  0.970168D-01
      2  -0.991651D+01 -0.142034D+00  0.110415D+00 -0.774462D-02 -0.900639D-01
      3  -0.142034D+00 -0.814018D+00  0.970168D-01 -0.900639D-01 -0.144727D-01
                91            92            93            94            95 
      1  -0.153390D+02  0.192540D+01  0.144031D+00  0.218442D+01 -0.627194D+00
      2   0.192540D+01 -0.285060D+00 -0.110935D+00 -0.627194D+00 -0.488924D+01
      3   0.144031D+00 -0.110935D+00 -0.352519D+01 -0.110110D+01 -0.508105D-01
                96            97            98            99           100 
      1  -0.110110D+01 -0.618450D-01 -0.480134D+00 -0.781663D+01 -0.682195D+01
      2  -0.508105D-01 -0.480134D+00 -0.297590D+00  0.139777D+01 -0.232679D+01
      3   0.140771D+01 -0.781663D+01  0.139777D+01  0.171262D+00  0.126585D+01
               101           102           103           104           105 
      1  -0.232679D+01  0.126585D+01 -0.588511D+01  0.666486D+00  0.876549D+00
      2   0.295471D+00 -0.243115D+00  0.666486D+00  0.446673D+01  0.120627D+01
      3  -0.243115D+00  0.359798D+01  0.876549D+00  0.120627D+01 -0.281164D+01
               106           107           108           109           110 
      1  -0.481289D+01  0.559375D+00  0.555629D+01 -0.672714D+01  0.234192D+01
      2   0.559375D+00  0.526191D+00 -0.225486D+01  0.234192D+01 -0.601461D+00
      3   0.555629D+01 -0.225486D+01 -0.561792D+00 -0.675783D-01  0.350207D+00
               111           112           113           114           115 
      1  -0.675783D-01  0.175809D+01 -0.500589D+00  0.715355D+00  0.762706D+01
      2   0.350207D+00 -0.500589D+00  0.917922D+00  0.248509D+00 -0.409808D+00
      3   0.162660D+01  0.715355D+00  0.248509D+00 -0.825968D+00  0.446926D+01
               116           117           118           119           120 
      1  -0.409808D+00  0.446926D+01 -0.109734D+01  0.133193D+01  0.420181D-01
      2   0.117440D+01 -0.583361D+00  0.133193D+01  0.790818D+00 -0.840017D-01
      3  -0.583361D+00  0.655017D+00  0.420181D-01 -0.840017D-01  0.829400D+00
               121           122           123           124           125 
      1   0.317968D+01  0.193425D+01 -0.220403D-01  0.510124D+00 -0.418874D-01
      2   0.193425D+01  0.646534D+01 -0.264974D+00 -0.418874D-01 -0.440124D-01
      3  -0.220403D-01 -0.264974D+00  0.139279D+01  0.118921D+01  0.816491D+00
               126           127           128           129           130 
      1   0.118921D+01  0.146593D+02  0.130837D+01 -0.338772D+01  0.288850D+01
      2   0.816491D+00  0.130837D+01  0.113550D+01 -0.181438D+00  0.141604D+01
      3  -0.299520D+00 -0.338772D+01 -0.181438D+00  0.219080D+01 -0.838174D+00
               131           132           133           134           135 
      1   0.141604D+01 -0.838174D+00 -0.101426D+01 -0.181648D+00  0.104825D+01
      2   0.261781D+00 -0.470303D+00 -0.181648D+00 -0.307686D-02  0.395008D+00
      3  -0.470303D+00  0.876099D+00  0.104825D+01  0.395008D+00 -0.422489D+00
               136           137           138           139           140 
      1  -0.461381D+00  0.529654D+00 -0.854673D+00  0.128227D+01 -0.492326D-01
      2   0.529654D+00 -0.633236D+00  0.513528D+00 -0.492326D-01  0.720011D+00
      3  -0.854673D+00  0.513528D+00 -0.304004D+01 -0.198298D+00 -0.150943D+01
               141           142           143           144           145 
      1  -0.198298D+00 -0.668253D+00 -0.130737D-01 -0.446598D+00  0.716911D+00
      2  -0.150943D+01 -0.130737D-01 -0.128842D+01  0.155774D+01 -0.720674D+00
      3   0.275376D+01 -0.446598D+00  0.155774D+01 -0.678627D+01 -0.148037D+00
               146           147           148           149           150 
      1  -0.720674D+00 -0.148037D+00 -0.240395D+01  0.777221D+00  0.940580D+00
      2   0.520979D-01  0.303598D-01  0.777221D+00 -0.603404D+01 -0.164787D+01
      3   0.303598D-01 -0.493243D+00  0.940580D+00 -0.164787D+01 -0.201527D+01
               151           152           153           154           155 
      1   0.890185D-01  0.224125D+00 -0.142279D+00  0.193795D+02 -0.343654D+01
      2   0.224125D+00 -0.731976D+00 -0.727795D+00 -0.343654D+01  0.202734D+01
      3  -0.142279D+00 -0.727795D+00 -0.721860D+00  0.103574D+01 -0.296868D+00
               156           157           158           159           160 
      1   0.103574D+01 -0.592698D+01  0.454913D+01 -0.575899D+00  0.129810D+01
      2  -0.296868D+00  0.454913D+01 -0.302654D+01  0.244164D+00 -0.333759D+00
      3   0.263261D+01 -0.575899D+00  0.244164D+00 -0.905581D+00  0.245388D+01
               161           162           163           164           165 
      1  -0.333759D+00  0.245388D+01  0.119827D+02 -0.127807D+01  0.401434D+01
      2  -0.419968D+00 -0.839940D+00 -0.127807D+01  0.892447D-01  0.199933D+00
      3  -0.839940D+00 -0.327232D+00  0.401434D+01  0.199933D+00  0.101947D+01
               166           167           168           169           170 
      1  -0.359758D+01  0.242419D+00 -0.660321D+00  0.183808D+01  0.487110D+00
      2   0.242419D+00  0.194012D+00  0.145324D+01  0.487110D+00  0.489083D+00
      3  -0.660321D+00  0.145324D+01 -0.439105D+00  0.937422D+00  0.306745D+00
               171           172           173           174           175 
      1   0.937422D+00 -0.109317D+02  0.100734D+01 -0.235351D+01  0.288648D+01
      2   0.306745D+00  0.100734D+01 -0.317607D+00 -0.180426D+00 -0.112216D+00
      3   0.756759D+01 -0.235351D+01 -0.180426D+00 -0.294915D+01  0.562849D+00
               176           177           178           179           180 
      1  -0.112216D+00  0.562849D+00 -0.684173D+01  0.146370D+00 -0.278445D+01
      2   0.610741D+00  0.731051D+00  0.146370D+00  0.102419D+01  0.295074D+00
      3   0.731051D+00  0.997487D+00 -0.278445D+01  0.295074D+00  0.182604D+00
               181           182           183           184           185 
      1  -0.130565D+02  0.133213D+01  0.431702D+00  0.605402D+01  0.637025D-01
      2   0.133213D+01 -0.113353D+02  0.132652D+00  0.637025D-01 -0.647236D+01
      3   0.431702D+00  0.132652D+00 -0.256627D+01 -0.216246D+00 -0.891276D-01
               186           187           188           189           190 
      1  -0.216246D+00  0.355755D+00  0.255982D+00 -0.520717D+01 -0.364224D+02
      2  -0.891276D-01  0.255982D+00  0.655356D+00  0.309684D+01  0.102778D+01
      3   0.133081D+01 -0.520717D+01  0.309684D+01  0.119690D+01  0.177086D+01
               191           192           193           194           195 
      1   0.102778D+01  0.177086D+01  0.143617D+02 -0.385439D+00 -0.803800D+00
      2  -0.709122D+01 -0.120518D+00 -0.385439D+00  0.141935D+02  0.103407D+00
      3  -0.120518D+00 -0.406282D+01 -0.803800D+00  0.103407D+00  0.327605D+00
               196           197           198           199           200 
      1   0.218107D+01  0.120265D+00 -0.691544D+01  0.400617D+02 -0.414264D+01
      2   0.120265D+00  0.898580D+00  0.606798D+00 -0.414264D+01  0.833158D+01
      3  -0.691544D+01  0.606798D+00  0.136220D+01 -0.278737D+01  0.106862D-01
               201           202           203           204           205 
      1  -0.278737D+01 -0.175699D+02 -0.630273D+00  0.105332D+01 -0.381658D+01
      2   0.106862D-01 -0.630273D+00 -0.565838D+01  0.975254D-01 -0.214171D-02
      3   0.426867D+00  0.105332D+01  0.975254D-01 -0.281300D+01  0.320608D+00
               206           207           208           209           210 
      1  -0.214171D-02  0.320608D+00  0.573741D+01  0.128153D+01 -0.343869D+00
      2  -0.678039D+00 -0.376742D+01  0.128153D+01  0.225390D+01  0.435742D-01
      3  -0.376742D+01 -0.282959D+00 -0.343869D+00  0.435742D-01  0.766655D+00
               211           212           213           214           215 
      1   0.211077D+01 -0.163416D+01 -0.303559D+00 -0.449674D+00 -0.990960D-01
      2  -0.163416D+01  0.190890D+01  0.200999D+00 -0.990960D-01 -0.170878D+00
      3  -0.303559D+00  0.200999D+00 -0.929719D+00 -0.297672D+00  0.362720D+00
               216           217           218           219           220 
      1  -0.297672D+00  0.328086D+01 -0.145181D+01 -0.485797D+00 -0.356801D+01
      2   0.362720D+00 -0.145181D+01 -0.296269D+01  0.438858D+00 -0.598071D-01
      3  -0.108108D-01 -0.485797D+00  0.438858D+00 -0.221376D+01  0.767206D+00
               221           222           223           224           225 
      1  -0.598071D-01  0.767206D+00 -0.263610D+00  0.476803D+00  0.713684D+00
      2  -0.127728D+01 -0.248020D+00  0.476803D+00  0.477604D-01  0.415289D+01
      3  -0.248020D+00  0.561048D+01  0.713684D+00  0.415289D+01  0.427420D+00
               226           227           228           229           230 
      1   0.745801D+00  0.127011D+01 -0.448413D-01  0.348638D+00  0.820959D+00
      2   0.127011D+01  0.234940D+01 -0.606797D-01  0.820959D+00  0.104584D+02
      3  -0.448413D-01 -0.606797D-01  0.157917D+00  0.587745D-01  0.883746D-01
               231           232           233           234           235 
      1   0.587745D-01 -0.726476D-01 -0.691842D-01 -0.223894D+00 -0.707836D+01
      2   0.883746D-01 -0.691842D-01  0.420424D-01  0.149552D+00  0.451412D+01
      3   0.830416D+00 -0.223894D+00  0.149552D+00  0.562822D-01  0.657216D+00
               236           237           238           239           240 
      1   0.451412D+01  0.657216D+00  0.511399D+01 -0.506057D+01 -0.467342D+00
      2  -0.391878D+01 -0.416328D+00 -0.506057D+01  0.584261D+01  0.503774D+00
      3  -0.416328D+00 -0.658898D+00 -0.467342D+00  0.503774D+00  0.751024D+00
               241           242           243           244           245 
      1   0.759735D+00 -0.468780D+00  0.336872D+00 -0.172385D+01 -0.218948D+01
      2  -0.468780D+00  0.432900D+00  0.238420D+00 -0.218948D+01 -0.116608D+01
      3   0.336872D+00  0.238420D+00  0.532723D-02  0.780164D-01  0.160350D+00
               246           247           248           249           250 
      1   0.780164D-01 -0.316061D+01 -0.308026D+01  0.125152D+00  0.329886D-01
      2   0.160350D+00 -0.308026D+01 -0.661200D+01  0.813113D-01  0.124121D+00
      3  -0.611967D-01  0.125152D+00  0.813113D-01 -0.530816D+00 -0.369314D-01
               251           252           253           254           255 
      1   0.124121D+00 -0.369314D-01  0.302742D+00  0.408341D+00 -0.628129D+00
      2  -0.670999D-01  0.140474D+00  0.408341D+00  0.456548D+00  0.352062D-01
      3   0.140474D+00 -0.585484D-02 -0.628129D+00  0.352062D-01  0.920136D+00
               256           257           258           259           260 
      1  -0.777375D+00 -0.150783D+01 -0.103363D+01 -0.346548D+01 -0.202741D+01
      2  -0.150783D+01 -0.258500D+01 -0.186270D+01 -0.202741D+01 -0.247622D+01
      3  -0.103363D+01 -0.186270D+01 -0.238929D+01 -0.194586D+01 -0.265882D+01
               261           262           263           264           265 
      1  -0.194586D+01 -0.156958D+02 -0.139463D+01  0.105627D+01  0.110076D+01
      2  -0.265882D+01 -0.139463D+01 -0.109879D+01  0.779897D-01 -0.105415D+01
      3  -0.479811D+01  0.105627D+01  0.779897D-01 -0.121067D+01 -0.882663D-01
               266           267           268           269           270 
      1  -0.105415D+01 -0.882663D-01  0.118201D+01  0.892118D-01 -0.148280D+01
      2   0.218148D+00  0.107116D+00  0.892118D-01  0.122271D+00 -0.466388D+00
      3   0.107116D+00 -0.790014D-01 -0.148280D+01 -0.466388D+00  0.318914D+00
               271           272           273           274           275 
      1   0.652764D+00  0.496764D+00  0.486723D+00 -0.680661D+00 -0.129484D+01
      2   0.496764D+00  0.854163D+00 -0.594196D+00 -0.129484D+01 -0.288254D+01
      3   0.486723D+00 -0.594196D+00  0.152955D+01  0.718503D+00  0.219915D+01
               276           277           278           279 
      1   0.718503D+00  0.275497D+01  0.149063D+01 -0.159338D+01
      2   0.219915D+01  0.149063D+01  0.249053D+01 -0.288060D+01
      3  -0.268300D+01 -0.159338D+01 -0.288060D+01  0.473284D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.250294D+01  0.306614D+01 -0.512510D+00  0.531805D+01 -0.327336D+01
      2   0.679632D+01 -0.259990D+00 -0.972335D+00  0.105233D+02 -0.132244D+01
      3   0.354173D+02  0.282730D+02 -0.194069D+01  0.516434D+02 -0.179358D+02
                 6             7             8             9            10 
      1  -0.650065D+00 -0.414260D+01  0.667387D+01  0.284030D+00 -0.968944D+00
      2   0.117011D+01 -0.191732D+02  0.217899D+01  0.164024D+01 -0.117401D+02
      3  -0.381263D+01 -0.721010D+00 -0.336300D+01  0.213369D+01 -0.168860D+02
                11            12            13            14            15 
      1   0.435389D+01  0.430789D+00  0.239146D+01 -0.779609D+00  0.836129D+00
      2   0.609086D+00 -0.521511D+01 -0.112414D+02  0.153940D+01  0.421858D-01
      3   0.348011D+02  0.137036D+01  0.396002D+02 -0.226368D+02 -0.344516D+01
                16            17            18            19            20 
      1  -0.330008D+01  0.788591D+01  0.616967D+00 -0.375091D+01 -0.714701D+00
      2  -0.204205D+02  0.159512D+01  0.179405D+01 -0.130379D+02  0.230438D+01
      3   0.254683D+01 -0.387181D+01 -0.179747D+01 -0.453530D+02 -0.200571D+02
                21            22            23            24            25 
      1   0.919960D+00 -0.482726D+00 -0.129006D+01 -0.313281D+01 -0.583673D+01
      2  -0.442264D-01  0.615752D+01 -0.114661D+01  0.213895D+01 -0.170643D+02
      3   0.267966D+01  0.160649D+02 -0.272335D+01 -0.436491D+00  0.300908D+01
                26            27            28            29            30 
      1   0.172698D+00 -0.149471D+01 -0.178166D+00  0.102374D+01 -0.311363D+00
      2   0.730541D+01  0.136193D+01  0.152519D+02 -0.143649D+01  0.136951D+01
      3   0.198204D+01 -0.361185D+01  0.188637D+02  0.443584D+01 -0.825557D+00
                31            32            33            34            35 
      1   0.458237D+01  0.257326D+01  0.239044D+01 -0.246879D+01  0.136643D+02
      2  -0.362887D+00  0.330326D+00 -0.155180D+01 -0.135929D+02  0.135226D+01
      3   0.208356D+02  0.143748D+01  0.406493D+00  0.166807D+01 -0.143066D+01
                36            37            38            39            40 
      1   0.979797D+00 -0.346223D+00 -0.216051D+01  0.459372D+01 -0.112846D+01
      2   0.183410D+01  0.956652D+00 -0.253810D+00  0.203721D+01 -0.388519D+01
      3   0.405945D+01 -0.229051D+02 -0.260726D+01  0.356716D+00 -0.542070D+01
                41            42            43            44            45 
      1  -0.208771D+01 -0.812342D+00  0.144259D+02  0.639941D+01 -0.919206D+00
      2   0.712955D+00 -0.139993D+01 -0.106202D+02 -0.620325D+01  0.118630D+01
      3  -0.708104D+01 -0.117104D+01 -0.560444D+00 -0.144714D+01 -0.461919D+01
                46            47            48            49            50 
      1   0.175051D+01 -0.806149D+00 -0.448554D+01 -0.126440D+01  0.201718D+01
      2  -0.364244D+01  0.827364D-01  0.104217D+01 -0.568805D-01  0.249943D+00
      3   0.412823D+02 -0.282252D+02 -0.233233D+01 -0.979985D+01  0.215618D+02
                51            52            53            54            55 
      1  -0.309007D+01 -0.818410D+01 -0.219676D+01  0.231127D+01  0.172620D+01
      2  -0.823402D+00 -0.175001D+02 -0.507561D+00  0.800883D+00 -0.305962D+00
      3   0.147794D+01 -0.343794D+01  0.279277D+01  0.593832D+01  0.269570D+02
                56            57            58            59            60 
      1  -0.339202D+01 -0.628007D+01  0.146002D+00  0.198502D+01 -0.364100D+01
      2  -0.126587D+01 -0.582119D+01  0.381195D+00 -0.454146D+00 -0.408297D+01
      3  -0.135973D+02 -0.689880D+00  0.344362D+00  0.216279D+02  0.214455D+00
                61            62            63            64            65 
      1  -0.740866D+01 -0.349295D+01  0.132072D+01 -0.535407D+00  0.574477D-01
      2  -0.222042D+02 -0.638458D+01  0.197129D+01  0.418800D-01  0.430468D+00
      3  -0.100344D+01  0.150440D+01  0.128174D+02  0.310409D-01  0.539701D+00
                66            67            68            69            70 
      1  -0.110265D+01 -0.513915D+00 -0.163494D+01 -0.395544D+01  0.162392D-01
      2   0.412761D+00  0.624458D+00  0.550884D+00  0.149559D+01 -0.193064D+01
      3   0.144824D+00  0.499241D+01 -0.484444D+01 -0.506467D-01  0.922002D-01
                71            72            73            74            75 
      1   0.208053D+01  0.243082D+00 -0.552507D+00 -0.610610D+00  0.249907D+01
      2  -0.815981D+00 -0.570690D-02  0.201385D+01 -0.893328D+00  0.163850D+01
      3  -0.244916D+00  0.609646D+00 -0.906980D+01 -0.269106D+00  0.746375D+00
                76            77            78            79            80 
      1  -0.972208D+00  0.135719D+01 -0.280541D+01 -0.187609D+01  0.150960D+01
      2  -0.119843D+01  0.111015D+01 -0.238072D+01 -0.268189D+01  0.996488D-01
      3   0.187573D+01  0.248096D+01 -0.138400D-01  0.168113D+01  0.163117D+00
                81            82            83            84            85 
      1   0.119652D+00  0.777673D+00  0.897560D+00 -0.116230D+01  0.389749D+00
      2   0.143603D-01 -0.298100D+00 -0.343140D+00  0.662133D+00 -0.226254D+00
      3   0.595142D+00  0.507303D+01  0.220359D+01 -0.280349D+00  0.544020D+01
                86            87            88            89            90 
      1   0.272024D+01 -0.445667D+01  0.116766D+01  0.208084D+01 -0.101247D+00
      2  -0.498220D+00  0.990940D+00 -0.747624D+00  0.961272D+00  0.521693D-01
      3   0.361423D+01  0.857631D-01 -0.496503D+00 -0.264004D+00 -0.119038D+01
                91            92            93            94            95 
      1  -0.241706D+01  0.759575D+00  0.947129D+00  0.222277D+01  0.193974D+01
      2  -0.107750D+02  0.837619D+00 -0.837238D+01 -0.829568D+00 -0.110373D+01
      3  -0.113355D+02 -0.338782D+01  0.200936D+00  0.107370D+02  0.218329D+02
                96            97            98            99           100 
      1  -0.272406D+01  0.282232D+01  0.330387D+01 -0.104536D+01  0.441349D+01
      2   0.359912D+01 -0.354123D+02  0.482103D+01 -0.280505D+01 -0.124736D+02
      3  -0.587668D+00  0.698460D+00  0.425623D+00 -0.889649D+01  0.145495D+02
               101           102           103           104           105 
      1  -0.235211D+01  0.637924D+00  0.126516D+00 -0.107533D+02 -0.640737D+01
      2  -0.433801D+01  0.213413D+02 -0.304267D+01  0.596583D+01 -0.108310D+02
      3  -0.561568D+01 -0.737060D+00 -0.719729D+00 -0.228864D+02 -0.562061D+01
               106           107           108           109           110 
      1  -0.126862D+01 -0.904471D+00  0.701095D+01  0.528764D+01 -0.193779D+01
      2   0.158720D+02 -0.892591D+01  0.697859D+01  0.150258D+02 -0.188348D+01
      3  -0.376284D+01 -0.443691D+01  0.107509D+02  0.860319D+00  0.128204D+02
               111           112           113           114           115 
      1  -0.793991D+01 -0.109657D+02  0.286991D+01 -0.139335D+02 -0.720707D+01
      2   0.464622D+01 -0.103907D+00  0.167914D+01  0.636347D+01  0.117855D+02
      3   0.207584D+01  0.176830D+02 -0.147854D+02  0.136251D+01  0.571291D+01
               116           117           118           119           120 
      1  -0.414338D+01 -0.269467D+01 -0.616991D+00 -0.630695D+00 -0.373790D+00
      2   0.135433D+01  0.110192D+01 -0.289055D+00  0.411810D+00  0.345789D+01
      3  -0.437267D+00  0.476290D+01 -0.727087D+01 -0.278096D+01  0.158975D+00
               121           122           123           124           125 
      1  -0.830952D+00 -0.351040D+01 -0.260295D+01 -0.243764D+00  0.393015D+00
      2   0.119165D+01  0.549344D+00  0.451666D+01  0.232126D+01  0.236471D+01
      3  -0.141541D+01 -0.232042D+02  0.772788D+00  0.803916D+00 -0.150827D-01
               126           127           128           129           130 
      1   0.827637D-01 -0.221393D+01 -0.330112D+01 -0.507943D-01 -0.279181D+01
      2  -0.415110D+00  0.119990D+02  0.180278D+01  0.685445D+01  0.162910D+01
      3  -0.192816D+01 -0.534668D+01 -0.801845D+01  0.701938D+00 -0.508939D+01
               131           132           133           134           135 
      1  -0.713012D-01 -0.116711D+00  0.636185D+00  0.894465D+00 -0.798369D+00
      2   0.406366D+00  0.267383D+01  0.176639D+01  0.904639D+00  0.437200D+00
      3  -0.433601D+00  0.180361D+01  0.439150D+00  0.165411D+01 -0.151911D+01
               136           137           138           139           140 
      1  -0.173221D+01  0.280523D+01 -0.924566D+00  0.103255D+01 -0.201897D+01
      2  -0.678051D+01  0.340951D+01 -0.129721D+02  0.250920D+01 -0.620254D+01
      3  -0.278401D+01  0.244061D+01 -0.196677D+01  0.200670D+01 -0.237414D+01
               141           142           143           144           145 
      1   0.193349D+01 -0.905571D-01  0.478923D+01 -0.335923D+01  0.233442D+01
      2   0.105701D+02 -0.634004D+01  0.668954D+01 -0.271917D+02 -0.149628D+00
      3   0.552484D+01  0.364621D-01  0.439749D+01 -0.613147D+01  0.431486D+01
               146           147           148           149           150 
      1   0.344272D+00 -0.403082D+00 -0.219312D+00  0.139748D+02  0.302403D+00
      2  -0.118747D+01 -0.166796D+01 -0.103144D+01 -0.555788D+01 -0.639183D+01
      3   0.507127D+00 -0.423077D+00  0.136992D+01  0.264331D+02  0.608471D+01
               151           152           153           154           155 
      1  -0.486207D+00  0.233876D+01  0.114276D+01 -0.439659D+01  0.267428D+01
      2  -0.119989D+01 -0.221836D+01 -0.293001D+01 -0.870918D+01  0.138037D+01
      3  -0.161567D+01  0.257935D+01  0.302872D+01  0.123939D+02 -0.219043D+02
               156           157           158           159           160 
      1   0.404676D+01  0.775063D+01 -0.379152D+01 -0.557571D+00  0.179377D+01
      2   0.207829D+02 -0.253142D+01 -0.194751D+01 -0.900192D+01  0.675737D+01
      3   0.141549D+00 -0.180757D+02  0.183633D+02 -0.155213D+01  0.272744D+00
               161           162           163           164           165 
      1   0.288843D+01 -0.705934D+00 -0.727682D+01  0.214747D+01  0.692059D+00
      2  -0.349049D+01 -0.273699D+01 -0.103591D+02  0.422666D+01  0.971735D+00
      3  -0.760091D+00  0.323572D+01  0.989429D+01 -0.423611D+01  0.481572D+00
               166           167           168           169           170 
      1   0.590533D+01 -0.208130D+00  0.449811D+01 -0.143951D+01  0.865134D+01
      2   0.588446D+01  0.510415D+01 -0.261594D+01 -0.664413D+01  0.989446D+00
      3  -0.240978D+01  0.225576D-01 -0.735951D+01 -0.950309D+00 -0.251241D+01
               171           172           173           174           175 
      1  -0.841852D+00  0.769642D+01 -0.241076D+01  0.180925D+01 -0.627960D+01
      2   0.260215D+02  0.209773D+02 -0.361608D+01 -0.623284D+01 -0.553291D+01
      3  -0.131776D+01 -0.876086D+01  0.245619D+01 -0.121760D+01  0.665446D+01
               176           177           178           179           180 
      1   0.611174D+00 -0.239507D+01  0.253371D+01 -0.764584D+00  0.119835D+01
      2   0.328655D+01  0.243885D+01 -0.171877D+01  0.476210D+00  0.276720D+01
      3  -0.108888D+01 -0.788480D+00 -0.462465D+01  0.489613D+00 -0.203251D+01
               181           182           183           184           185 
      1   0.322346D-01  0.165338D+01  0.667614D+01 -0.738480D+00 -0.111430D+01
      2  -0.130039D+01 -0.217462D+00  0.856801D+01  0.104780D+01  0.136922D+01
      3  -0.221282D+02 -0.116552D+02  0.982394D+00 -0.253830D+01 -0.266519D+02
               186           187           188           189           190 
      1  -0.131152D+01  0.165226D+02  0.635574D+01 -0.250473D+01 -0.161124D+01
      2  -0.310427D+01  0.264961D+01 -0.117160D+02 -0.241773D+01 -0.742417D+01
      3  -0.591727D+00  0.959050D-01 -0.476448D+00 -0.176958D+01 -0.234555D+02
               191           192           193           194           195 
      1   0.420879D+01  0.838610D+00  0.417267D+01 -0.126723D+01  0.423515D+01
      2  -0.341150D+00  0.351530D+01  0.243199D+01 -0.134551D+01 -0.792541D+00
      3   0.177043D+02  0.222200D+01  0.485868D+02  0.237316D+02 -0.341124D+01
               196           197           198           199           200 
      1  -0.244432D+01  0.138003D+02  0.560462D+00  0.162227D+00 -0.323964D+01
      2   0.289298D+01 -0.184441D+01 -0.194409D+01  0.856660D+01  0.136772D+00
      3   0.352121D+01 -0.224061D+01 -0.748407D-01  0.625633D+01 -0.225514D+02
               201           202           203           204           205 
      1  -0.167030D+00 -0.108741D+01  0.107261D+01 -0.363803D+01 -0.156888D+01
      2   0.230484D+01 -0.271236D+01 -0.367049D+00  0.653617D+01 -0.210130D+02
      3  -0.140238D+01 -0.152707D+02 -0.199409D+01  0.181634D+01 -0.204312D+01
               206           207           208           209           210 
      1   0.266236D+01  0.353028D+00  0.145769D+01 -0.367739D+01 -0.108673D+01
      2   0.131370D+02  0.199661D+01  0.120325D+01  0.563326D+00  0.897395D+01
      3   0.213803D+01 -0.707041D+01  0.205290D+02 -0.366892D+02 -0.218442D+01
               211           212           213           214           215 
      1  -0.165672D+00  0.148683D+00 -0.707378D+01  0.367120D+01  0.575890D-03
      2   0.113724D+01 -0.491073D+00  0.773088D+01 -0.460696D+01 -0.430155D+01
      3   0.219803D+01  0.478840D+01  0.463805D+00 -0.203978D+01  0.315027D+01
               216           217           218           219           220 
      1  -0.344260D+00 -0.191384D+01  0.562667D+00 -0.339923D+01  0.327436D+00
      2  -0.411362D+00  0.224906D+01 -0.227595D+01  0.120778D+02 -0.354945D+01
      3   0.158842D+01 -0.324998D+02 -0.139082D+02  0.547373D+01 -0.592195D+01
               221           222           223           224           225 
      1   0.101337D+01  0.100751D+02  0.929708D+01  0.112738D+02  0.172203D+01
      2   0.917731D+00 -0.329588D+02 -0.249910D+01 -0.227393D+02 -0.265778D+01
      3   0.142647D+02 -0.133549D+01  0.450162D+01 -0.622247D+00  0.297358D+02
               226           227           228           229           230 
      1   0.278653D+00  0.260311D+00 -0.132167D+01 -0.124168D+00 -0.243848D+00
      2   0.355625D-01  0.136840D+00  0.281765D+00 -0.123116D+00 -0.367774D+00
      3   0.703540D+01  0.635283D+01 -0.408342D+00  0.555349D+01  0.221436D+02
               231           232           233           234           235 
      1  -0.485482D+01  0.880607D+00  0.217279D+01 -0.154454D+00 -0.984228D+00
      2  -0.519461D+00  0.181716D+00  0.279401D+00 -0.122715D+00 -0.153960D+01
      3   0.337385D+00 -0.578045D+00 -0.224940D+00 -0.761065D+00 -0.340297D+00
               236           237           238           239           240 
      1   0.286944D+00  0.256445D+01  0.302094D+00 -0.106707D+00 -0.311731D+01
      2   0.988993D+00  0.374438D+01  0.102403D+01 -0.125634D+01 -0.395735D+01
      3  -0.653186D+01 -0.119954D+00 -0.639236D+01  0.123027D+02  0.888470D+00
               241           242           243           244           245 
      1  -0.267940D+01  0.106655D+01  0.594129D-01  0.358487D+00  0.351649D+00
      2  -0.323238D+01 -0.103060D+01 -0.728918D-01 -0.438939D+00 -0.603722D+00
      3   0.205247D+00  0.705533D+00  0.148074D+01 -0.105001D+01 -0.102545D+01
               246           247           248           249           250 
      1  -0.533726D+00  0.471534D+00  0.197481D+00 -0.311764D+01 -0.296861D+00
      2   0.267944D+00 -0.547596D+00 -0.314617D+00  0.176951D+01 -0.153148D+01
      3   0.165551D+00 -0.618011D-01 -0.160302D+02 -0.157803D+00  0.194529D+00
               251           252           253           254           255 
      1   0.162099D+01  0.703103D-01 -0.761362D+00  0.152800D+00  0.208723D+01
      2  -0.143374D+01  0.780718D-01  0.525641D+01  0.226520D+00 -0.443639D+01
      3  -0.465355D+00  0.818249D+00 -0.330326D+00  0.465184D+01  0.185872D+01
               256           257           258           259           260 
      1  -0.117454D+01 -0.277602D+01 -0.540578D+01 -0.345032D+01 -0.269192D+01
      2   0.496299D+01  0.982313D+01  0.133670D+02  0.568937D+01  0.144028D+02
      3  -0.436060D+01 -0.175734D+02 -0.112867D+02 -0.588400D+01 -0.156258D+02
               261           262           263           264           265 
      1  -0.949155D+01  0.103256D+01 -0.475230D+00 -0.164132D+01 -0.253235D+00
      2   0.257947D+02 -0.238236D+01 -0.118527D+00  0.922499D+01  0.262035D+00
      3  -0.178420D+02  0.108629D+02 -0.854251D+01 -0.930886D+00 -0.504223D+01
               266           267           268           269           270 
      1   0.207682D+00 -0.881338D+00 -0.187415D+01 -0.296926D+00  0.204638D+00
      2  -0.349120D+00  0.590487D+00  0.658352D+01  0.240940D+01 -0.158929D+01
      3   0.260846D+01  0.610927D+00 -0.972039D+00  0.924096D+00 -0.193581D+01
               271           272           273           274           275 
      1   0.445265D+00  0.102582D+00  0.295320D+01  0.389032D+00  0.117581D+01
      2  -0.526320D+01  0.254994D+01 -0.741567D+01 -0.279149D+01 -0.108706D+02
      3  -0.212383D+00  0.764316D+01 -0.536667D+01 -0.268908D+01 -0.195596D+02
               276           277           278           279 
      1  -0.461512D+01 -0.209325D+01 -0.141511D+01  0.724020D+01
      2   0.144181D+02  0.325513D+01  0.148802D+02 -0.239942D+02
      3   0.132347D+02  0.321031D+01  0.155323D+02 -0.190571D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.679223D+02  0.251108D+02  0.416782D+01 -0.878376D+02 -0.766592D+00
      2   0.316067D+02 -0.166052D+02 -0.260255D+01  0.347517D+02  0.132454D+02
      3   0.363156D+02 -0.850565D+01 -0.156527D+01  0.530859D+02 -0.124788D+02
      4  -0.506672D+01  0.190314D+02  0.113934D+01  0.128756D+02 -0.242177D+02
      5   0.408314D+00 -0.125253D+01 -0.302561D+01 -0.395013D+01  0.170590D+01
      6   0.579573D+00 -0.143012D+01  0.126123D+01  0.220102D+01 -0.144051D+01
                 6             7             8             9            10 
      1   0.705854D+01  0.433900D+01 -0.164760D+01 -0.101155D+02  0.680945D+02
      2  -0.244129D+01 -0.244671D+01  0.198190D+01 -0.505370D+00 -0.165683D+02
      3  -0.461726D+01 -0.189229D+01 -0.334304D+00  0.106209D+02 -0.515262D+02
      4  -0.153895D+01  0.257907D+00 -0.159478D+01 -0.192056D+01  0.351069D+02
      5   0.403540D+01  0.103796D+01 -0.917876D+00  0.168426D+01  0.184545D+00
      6  -0.397849D+00  0.318818D+01  0.509374D+01 -0.928691D+00 -0.327038D+01
                11            12            13            14            15 
      1   0.202586D+02 -0.639921D+01  0.960910D+02 -0.227193D+02 -0.762237D+01
      2  -0.160696D+02  0.745453D+00 -0.366483D+02  0.147469D+02  0.340669D+01
      3  -0.418898D+01  0.565376D+01 -0.594427D+02  0.797238D+01  0.421568D+01
      4   0.136493D+02 -0.145906D+01 -0.288584D+02  0.188042D+02  0.204593D+01
      5  -0.133732D+01 -0.123033D+02  0.275852D+01 -0.697375D+00 -0.180041D+01
      6   0.320831D+00  0.185512D-01 -0.631160D+00  0.200216D+01 -0.229739D+01
                16            17            18            19            20 
      1  -0.396385D+01 -0.166034D+01 -0.603336D+01  0.433574D+02 -0.314633D+02
      2  -0.132533D+00  0.113246D+01 -0.270487D+01 -0.135822D+02  0.187026D+02
      3   0.409639D+01  0.527878D+00  0.873823D+01 -0.297752D+02  0.127607D+02
      4  -0.287646D+01 -0.458089D+00  0.482274D+01 -0.625842D+01 -0.250780D+02
      5   0.199218D+01  0.309315D+01  0.262139D+01  0.206476D+01  0.163345D+01
      6   0.250053D+01  0.399205D+01 -0.221335D+00 -0.978072D+00  0.529647D+01
                21            22            23            24            25 
      1  -0.707210D+01  0.135365D+02  0.176711D+02  0.287119D+01 -0.420749D+01
      2   0.326254D+01 -0.250428D+02 -0.232795D+02  0.669991D-01  0.426964D+00
      3   0.380956D+01  0.115063D+02  0.560849D+01 -0.293819D+01  0.378053D+01
      4   0.314413D+00  0.102449D+02 -0.465403D+00 -0.323983D+00  0.230016D+01
      5  -0.281965D+01 -0.193035D+01  0.110823D+00  0.779168D+01  0.105991D+02
      6  -0.391405D+00  0.538706D+00 -0.237443D+01  0.658664D+01  0.294187D+01
                26            27            28            29            30 
      1   0.784183D+01 -0.121746D+02  0.138328D+02 -0.609062D+01  0.386817D+01
      2  -0.284501D+01  0.574753D+00 -0.326060D+02  0.536788D+01 -0.674432D+00
      3  -0.499683D+01  0.115998D+02  0.187732D+02  0.722740D+00 -0.319374D+01
      4   0.196760D+01  0.686124D+01 -0.182460D+00  0.142836D+02  0.301028D+00
      5   0.878360D+01  0.239681D+01 -0.706144D+01  0.203662D+01  0.951179D+01
      6   0.136831D+02 -0.236641D+01  0.144726D+01 -0.241426D+01  0.252865D+01
                31            32            33            34            35 
      1   0.402489D+02 -0.474522D+02 -0.174170D+01  0.740877D+01 -0.238442D+01
      2  -0.290011D+02  0.417572D+02  0.192148D+01 -0.270527D+01  0.132200D+01
      3  -0.112477D+02  0.569503D+01 -0.179781D+00 -0.470350D+01  0.106243D+01
      4  -0.318493D+02 -0.176725D+02  0.635329D+00 -0.250734D+01 -0.676502D+00
      5  -0.175019D+01  0.196037D+01 -0.272582D+01  0.336804D+02 -0.420450D+01
      6   0.149130D+01  0.546382D+01 -0.433608D+01  0.429505D+01  0.310055D+01
                36            37            38            39            40 
      1   0.112784D+01 -0.223353D+02  0.555462D+02  0.474960D+01 -0.403288D+02
      2  -0.127856D+02  0.129960D+02 -0.385185D+02 -0.112926D+01  0.409523D+02
      3   0.116577D+02  0.933925D+01 -0.170277D+02 -0.362033D+01 -0.623544D+00
      4  -0.546254D+00  0.257354D+02  0.646624D+01 -0.276825D+01  0.185450D+02
      5  -0.477633D+00  0.295113D+00 -0.484403D+01  0.446709D+01  0.305090D+01
      6  -0.751569D+00 -0.389572D+01 -0.463096D+01 -0.959969D+01 -0.166741D+01
                41            42            43            44            45 
      1   0.271508D+02  0.117695D+01  0.338765D+01 -0.629827D+01 -0.119535D+02
      2  -0.257433D+02 -0.274169D+01  0.255650D+01  0.159926D+01 -0.952531D+00
      3  -0.140751D+01  0.156474D+01 -0.594415D+01  0.469901D+01  0.129060D+02
      4   0.246142D+02  0.665445D-01 -0.380402D+01  0.131118D+01 -0.673689D+01
      5  -0.144287D+01 -0.726933D+01  0.142750D+02 -0.679848D+01 -0.237821D+01
      6  -0.400632D+01  0.222554D+01 -0.174281D+02  0.906932D+01  0.468978D+01
                46            47            48            49            50 
      1   0.313382D+02 -0.460831D+02 -0.684035D+01  0.868046D+01  0.758770D+01
      2  -0.234558D+02  0.311628D+02  0.231000D+01 -0.733411D+01 -0.168333D+02
      3  -0.788239D+01  0.149204D+02  0.453034D+01 -0.134635D+01  0.924560D+01
      4  -0.316361D+02 -0.149848D+02  0.214562D+01  0.187264D+02 -0.821054D+01
      5   0.312960D+01  0.246301D+01  0.708024D+00  0.338074D+00 -0.554394D+00
      6   0.257353D+01  0.658233D+01  0.767045D+01 -0.141377D+01 -0.236538D+00
                51            52            53            54            55 
      1  -0.492471D+00 -0.457274D+01  0.290346D+01 -0.204851D+02 -0.213526D+02
      2  -0.979425D+00  0.258291D+01 -0.504150D+01  0.818829D+01  0.366677D+01
      3   0.147190D+01  0.198983D+01  0.213804D+01  0.122969D+02  0.176858D+02
      4  -0.107815D+01  0.338555D+01  0.304952D+01  0.156935D+01  0.208223D+02
      5   0.159730D-01  0.396943D+01 -0.112124D-01  0.234337D+01 -0.370296D+01
      6   0.799568D+01  0.367668D+01  0.202714D+02  0.161870D+01  0.127785D+01
                56            57            58            59            60 
      1  -0.371883D+02 -0.229773D+01  0.401167D+00  0.154618D+02  0.525767D+00
      2   0.335250D+02  0.140566D+01 -0.354470D+01 -0.205873D+02 -0.440312D+00
      3   0.366329D+01  0.892068D+00  0.314354D+01  0.512557D+01 -0.854556D-01
      4  -0.610550D+02 -0.258989D+01  0.150355D+02 -0.944333D+01  0.139906D-01
      5   0.171252D+01 -0.103599D+02  0.743816D+00 -0.117524D+00 -0.624714D+01
      6   0.309536D+01  0.116313D+02 -0.440473D+00 -0.745110D+00  0.947236D+01
                61            62            63            64            65 
      1  -0.555508D+00  0.304659D+01 -0.278002D+02 -0.128481D+01 -0.365903D+01
      2   0.995245D+00 -0.360160D+01  0.143396D+02  0.537638D+01  0.611857D+01
      3  -0.439736D+00  0.555013D+00  0.134606D+02 -0.409157D+01 -0.245954D+01
      4  -0.191801D+01  0.765900D+01 -0.111079D+02  0.809333D+01  0.115388D+02
      5  -0.185803D+01 -0.158998D+02  0.345677D+01 -0.653189D+00 -0.674841D+00
      6   0.375434D+01  0.246178D+02 -0.187169D+01 -0.116341D+01 -0.144151D+01
                66            67            68            69            70 
      1   0.216781D+00 -0.798720D+01 -0.298076D+02  0.114652D+01 -0.784435D+00
      2  -0.114576D+00  0.123655D+02  0.395308D+02 -0.769881D+00  0.448920D+00
      3  -0.102206D+00 -0.437828D+01 -0.972314D+01 -0.376643D+00  0.335515D+00
      4  -0.427391D+00  0.129272D+02  0.218043D+02 -0.490178D+00 -0.336275D+00
      5   0.149157D+01 -0.592260D+00  0.260749D+00  0.233561D+01 -0.280858D-02
      6   0.138886D+01 -0.169667D+01 -0.470469D+01  0.600083D+01  0.145478D+01
                71            72            73            74            75 
      1  -0.161181D+00 -0.256067D+01  0.707911D+01  0.193128D+01  0.213801D-01
      2   0.117255D-02  0.297742D+01  0.100088D+01 -0.798135D+01  0.760383D-01
      3   0.160009D+00 -0.416742D+00 -0.807998D+01  0.605008D+01 -0.974184D-01
      4  -0.500818D+00  0.682816D+00 -0.207638D+02  0.174937D+02  0.153784D+01
      5   0.300990D-01 -0.275886D+00 -0.470605D+01  0.188086D+01  0.415863D+01
      6   0.216870D+01 -0.288597D+00  0.267530D+01 -0.251187D+01 -0.232011D+01
                76            77            78            79            80 
      1   0.469300D+01 -0.122147D+02 -0.139371D+01 -0.115200D+01 -0.531220D+00
      2  -0.128439D+02  0.215105D+02  0.110868D+01  0.769665D-02  0.850594D+00
      3   0.815095D+01 -0.929586D+01  0.285037D+00  0.114430D+01 -0.319373D+00
      4   0.232870D+02 -0.250044D+02 -0.209171D+01  0.156450D+01 -0.137998D+01
      5   0.301110D+01 -0.245117D+01 -0.370134D+01  0.585506D-01 -0.119553D+01
      6  -0.378223D+01  0.460386D+01  0.489702D+01  0.106061D+01  0.200803D+01
                81            82            83            84            85 
      1   0.121505D+00 -0.369241D+01 -0.753491D+01  0.338274D+00 -0.576261D+01
      2   0.783479D+00  0.627088D+01  0.110291D+02 -0.249322D+00  0.741015D+01
      3  -0.904984D+00 -0.257847D+01 -0.349419D+01 -0.889516D-01 -0.164754D+01
      4  -0.204978D+01  0.451750D+01  0.119064D+02  0.223137D+00  0.767593D+01
      5  -0.221242D+00  0.809223D+00  0.120443D+01  0.184615D+01  0.760395D+00
      6   0.340685D+00  0.603691D+00  0.321572D+00  0.149325D+01  0.802440D+00
                86            87            88            89            90 
      1  -0.452516D+02 -0.891453D+00  0.713032D+00  0.114526D+00 -0.135951D+01
      2   0.599945D+02  0.521815D+00 -0.534107D+00 -0.593237D-01  0.171758D+01
      3  -0.147429D+02  0.369638D+00 -0.178924D+00 -0.552026D-01 -0.358071D+00
      4   0.144532D+02  0.340081D+00 -0.186845D+00 -0.715279D+00  0.194723D+01
      5   0.284064D+01  0.112190D+01  0.904462D+00  0.160145D+01 -0.461557D-01
      6   0.450141D+01  0.703607D+01 -0.176045D+00  0.243988D+01 -0.223980D-01
                91            92            93            94            95 
      1  -0.100573D+02  0.708016D+01 -0.102701D+02  0.996783D+01  0.910973D+01
      2   0.187030D+02 -0.782626D+01 -0.144388D+01 -0.133192D+02 -0.170816D+02
      3  -0.864567D+01  0.746102D+00  0.117140D+02  0.335138D+01  0.797187D+01
      4   0.842593D+01 -0.273226D+01 -0.103850D+01 -0.443079D+01 -0.404093D+02
      5   0.694171D+00 -0.248229D+01 -0.251528D+02 -0.131875D+02 -0.553479D+00
      6  -0.234183D+01  0.252618D+01  0.759395D+00 -0.166069D+00  0.539223D+01
                96            97            98            99           100 
      1  -0.583920D+01 -0.310622D+01 -0.613800D+00 -0.262863D+02 -0.671959D+02
      2   0.881693D+01 -0.621207D+01  0.618389D+00  0.216501D+02  0.357718D+02
      3  -0.297774D+01  0.931829D+01 -0.458909D-02  0.463625D+01  0.314242D+02
      4  -0.773419D+00 -0.315972D+01 -0.975641D+00  0.852668D+01 -0.241491D+02
      5   0.835795D+01 -0.613393D+02  0.995054D+01  0.686409D+01  0.326339D+02
      6   0.171150D+01  0.177032D+01  0.523514D+00 -0.346491D+01  0.110869D+02
               101           102           103           104           105 
      1  -0.183084D+02  0.297221D+02 -0.290575D+02  0.111939D+02 -0.589474D+01
      2   0.741717D+01 -0.145453D+01  0.206061D+02 -0.743809D+01 -0.101301D+02
      3   0.108912D+02 -0.282676D+02  0.845143D+01 -0.375580D+01  0.160248D+02
      4   0.565252D+01  0.271137D+00  0.294103D+01  0.375382D+02  0.976795D+01
      5   0.459364D+01  0.197847D+02  0.149009D+02  0.627269D+01 -0.172875D+02
      6  -0.356794D+01  0.193940D+01 -0.183179D+01 -0.180880D+02 -0.603864D+01
               106           107           108           109           110 
      1   0.214802D+01 -0.724631D+01  0.344024D+02 -0.929803D+02  0.190337D+02
      2   0.169634D+02 -0.527729D+01 -0.157231D+02  0.391621D+02 -0.235623D+01
      3  -0.191114D+02  0.125236D+02 -0.186793D+02  0.538182D+02 -0.166775D+02
      4   0.214863D+01  0.651240D+01 -0.156570D+02  0.314574D+02 -0.206876D+02
      5   0.428130D+02 -0.143963D+02 -0.190735D+02 -0.135986D+02  0.699797D+01
      6  -0.203716D+01 -0.345717D+01  0.138243D+02  0.595428D+01 -0.156974D+01
               111           112           113           114           115 
      1  -0.620654D+01  0.307025D+02 -0.134724D+02  0.287792D+01  0.256665D+02
      2   0.248202D+01 -0.774535D+01  0.948415D+01 -0.193213D+01 -0.175168D+02
      3   0.372453D+01 -0.229571D+02  0.398822D+01 -0.945790D+00 -0.814969D+01
      4   0.426265D+01 -0.456035D+01  0.213512D+02  0.100270D+01 -0.100825D+01
      5  -0.115941D+01  0.118435D+02 -0.875376D+00  0.162166D+01  0.271436D+02
      6   0.321591D+01 -0.182527D+01  0.331033D+01  0.120781D+01 -0.360627D+01
               116           117           118           119           120 
      1   0.112555D+01  0.265142D+02 -0.386217D+01  0.650268D+01  0.160567D+01
      2   0.779330D+00 -0.601132D+01  0.726952D+01 -0.155181D+01 -0.706392D+00
      3  -0.190488D+01 -0.205028D+02 -0.340735D+01 -0.495087D+01 -0.899276D+00
      4   0.399682D+01 -0.582326D+01  0.117358D+02  0.105821D+02 -0.823747D+00
      5  -0.590657D+01  0.677064D+01  0.610376D+00 -0.123372D+01  0.762135D+01
      6  -0.327000D+01 -0.284696D+01 -0.125837D+01 -0.101402D+01  0.234539D+00
               121           122           123           124           125 
      1   0.107258D+02 -0.125285D+02  0.271072D+01  0.273073D+01 -0.309732D+00
      2  -0.492212D+00  0.266926D+02 -0.146911D+01 -0.149130D+01  0.172424D+01
      3  -0.102336D+02 -0.141640D+02 -0.124161D+01 -0.123943D+01 -0.141451D+01
      4   0.183148D+02  0.482404D+02 -0.197661D+01 -0.704926D-01  0.246249D-01
      5  -0.604426D+00 -0.185336D+01  0.102406D+02  0.968606D+01  0.515072D+01
      6  -0.157387D+01 -0.620773D+01  0.465172D+01  0.151763D+01  0.552590D+01
               126           127           128           129           130 
      1   0.106411D+01  0.109847D+03  0.113239D+02 -0.196361D+02  0.200712D+02
      2  -0.413872D+00 -0.650755D+02 -0.540787D+01  0.172263D+02 -0.109800D+02
      3  -0.650234D+00 -0.447719D+02 -0.591606D+01  0.240982D+01 -0.909121D+01
      4   0.558189D+01  0.173519D+02  0.145628D+02 -0.318039D+01  0.178973D+02
      5  -0.199771D+01 -0.600467D+02 -0.514059D+01  0.282566D+02 -0.127199D+02
      6  -0.539675D+00 -0.728494D+01 -0.560968D+01  0.152012D+01 -0.620263D+01
               131           132           133           134           135 
      1   0.929448D+01 -0.229929D+01 -0.754918D+01  0.604217D+00  0.626578D+01
      2  -0.379485D+01  0.401119D+01  0.741871D+01  0.124632D+01 -0.664328D+01
      3  -0.549963D+01 -0.171190D+01  0.130475D+00 -0.185054D+01  0.377506D+00
      4   0.349701D+01 -0.493866D+01 -0.835892D+00 -0.207269D+01  0.365791D+01
      5  -0.660321D+01  0.797061D+01  0.154843D+02  0.339778D+01 -0.665903D+01
      6  -0.762153D+00  0.333163D+01  0.144991D+01  0.166282D+01 -0.195385D+01
               136           137           138           139           140 
      1  -0.485571D+01  0.710666D+01 -0.212239D+02  0.814834D+01 -0.980377D+01
      2  -0.978796D+00 -0.157287D+01 -0.169951D+01 -0.490330D+01  0.200864D+01
      3   0.583451D+01 -0.553379D+01  0.229234D+02 -0.324504D+01  0.779513D+01
      4   0.358335D+01 -0.403723D+01  0.301224D+01  0.129661D+01  0.427627D+01
      5  -0.117639D+01  0.310048D+00 -0.113738D+02 -0.569018D+01 -0.751809D+01
      6  -0.317936D+01  0.466116D+01 -0.439467D+01  0.210450D+00 -0.591413D+01
               141           142           143           144           145 
      1   0.122603D+02 -0.953905D+01  0.819862D+01 -0.364619D+02  0.660126D+01
      2   0.356552D+01  0.307413D+01  0.207130D+01 -0.123514D+02 -0.177629D+01
      3  -0.158258D+02  0.646492D+01 -0.102699D+02  0.488133D+02 -0.482496D+01
      4  -0.102776D+02 -0.526501D+00 -0.881660D+01  0.115432D+02 -0.481887D+01
      5   0.159841D+02  0.505819D+01  0.865218D+01 -0.362690D+02 -0.393829D+01
      6   0.113261D+02 -0.888818D-01  0.920282D+01 -0.119559D+02  0.234382D+01
               146           147           148           149           150 
      1  -0.504401D+01 -0.504681D+01 -0.117030D+02 -0.991653D+01 -0.297294D+01
      2   0.277423D+01  0.580897D+00  0.720694D+01  0.132809D+02 -0.238588D+01
      3   0.226978D+01  0.446592D+01  0.449608D+01 -0.336433D+01  0.535882D+01
      4   0.301941D+01  0.750312D+00  0.106496D+02 -0.469140D+02 -0.127993D+02
      5   0.223808D+01 -0.119369D+01  0.122709D+02 -0.118190D+02 -0.154554D+02
      6   0.161949D-01 -0.401241D-01 -0.398294D+01  0.258866D+02  0.108180D+02
               151           152           153           154           155 
      1  -0.826016D+00 -0.194943D+01 -0.660257D+01  0.191255D+03 -0.303416D+02
      2  -0.328416D+00 -0.423287D+00  0.101513D+01 -0.896482D+02  0.941534D+01
      3   0.115443D+01  0.237272D+01  0.558745D+01 -0.101607D+03  0.209262D+02
      4   0.180200D+01 -0.568714D+01 -0.523734D+01 -0.420690D+02  0.385390D+02
      5   0.695684D+00 -0.525241D+01 -0.364209D+01  0.328196D+02 -0.651524D+01
      6  -0.135325D+01  0.746416D+01  0.340072D+01 -0.524908D+01  0.465493D+01
               156           157           158           159           160 
      1   0.666207D+01 -0.411881D+02  0.346639D+02 -0.896890D+00  0.634577D+01
      2  -0.809224D+01  0.136378D+02 -0.934380D+01  0.176377D+01 -0.735671D+01
      3   0.143017D+01  0.275502D+02 -0.253201D+02 -0.866877D+00  0.101094D+01
      4  -0.298750D+01  0.530040D+02 -0.379450D+02  0.273187D+01 -0.300278D+01
      5   0.350472D+02 -0.928618D+01  0.754775D+01 -0.116597D+02  0.339686D+02
      6  -0.195735D+01  0.909667D+01 -0.650733D+01  0.542578D+01 -0.412821D+01
               161           162           163           164           165 
      1  -0.966794D+00  0.196323D+02  0.492247D+02 -0.899257D+01  0.159159D+02
      2   0.128591D+01 -0.132118D+02 -0.353232D+02  0.365567D+01 -0.105665D+02
      3  -0.319111D+00 -0.642049D+01 -0.139015D+02  0.533691D+01 -0.534945D+01
      4   0.168229D+00 -0.781369D+01 -0.904005D+01  0.808457D+01  0.120023D+01
      5  -0.869622D+01  0.377399D+01  0.343217D+02 -0.103763D+01  0.187111D+02
      6   0.475966D+01 -0.179954D+01 -0.353806D+01  0.163275D+01  0.682498D+00
               166           167           168           169           170 
      1  -0.167223D+02 -0.566766D+01 -0.563850D-01 -0.257019D+01  0.498089D+00
      2   0.910310D+01  0.955473D+00  0.844738D+00 -0.286654D+01 -0.849578D+00
      3   0.761916D+01  0.471218D+01 -0.788353D+00  0.543673D+01  0.351488D+00
      4   0.649204D+01  0.131575D+01  0.111991D+02  0.412882D+01  0.529823D+01
      5  -0.745041D+01  0.113785D+02 -0.262073D+01  0.162955D+02  0.376188D+01
      6   0.166600D+01  0.566539D+00  0.113457D+02  0.302763D+01  0.107885D+02
               171           172           173           174           175 
      1  -0.326797D+02 -0.492609D+02  0.773972D+01  0.536616D+01  0.144495D+02
      2  -0.142700D+02  0.319283D+02 -0.385700D+01  0.630042D+01 -0.954269D+01
      3   0.469497D+02  0.173325D+02 -0.388272D+01 -0.116666D+02 -0.490685D+01
      4   0.616214D+01  0.703557D+01 -0.496110D+01 -0.108311D+01 -0.111196D+01
      5   0.465377D+02 -0.277526D+02  0.152600D+01 -0.166769D+02  0.689403D+01
      6   0.396270D+01  0.296075D+01 -0.388265D+01 -0.179854D+01 -0.109729D+01
               176           177           178           179           180 
      1  -0.687682D+01 -0.183439D+01 -0.111200D+02  0.319384D+00 -0.107739D+02
      2   0.411955D+01 -0.117682D+01  0.148236D+02 -0.732587D+00  0.639618D+01
      3   0.275727D+01  0.301121D+01 -0.370359D+01  0.413203D+00  0.437776D+01
      4   0.251921D+01  0.331959D+01  0.229417D+01 -0.181308D+00  0.124884D+01
      5   0.187386D+01  0.516203D+01 -0.147615D+02  0.107363D+01 -0.468638D+01
      6   0.262054D+01  0.366286D+01 -0.140903D+01  0.130895D+01  0.790747D+00
               181           182           183           184           185 
      1   0.303069D+02  0.552030D+02  0.891404D+00 -0.417843D+02  0.195693D+02
      2  -0.151571D+02 -0.450719D+02 -0.290476D+00  0.332594D+02 -0.244465D+02
      3  -0.151498D+02 -0.101312D+02 -0.600928D+00  0.852491D+01  0.487716D+01
      4   0.284971D+01  0.434839D+02 -0.321602D+01  0.722201D+00  0.388760D+02
      5   0.613741D+01 -0.629613D+01  0.161006D+02  0.468090D+00  0.137878D+01
      6  -0.432002D+01  0.205711D+01 -0.128359D+02  0.123323D+01 -0.169616D+01
               186           187           188           189           190 
      1   0.207453D+01  0.141568D+01 -0.676149D+01  0.516061D+01  0.120610D+03
      2  -0.233011D+01  0.109623D+01  0.367190D+01 -0.853720D+01 -0.606217D+02
      3   0.255578D+00 -0.251191D+01  0.308959D+01  0.337659D+01 -0.599883D+02
      4   0.164100D+01 -0.519346D+01 -0.611599D+00 -0.249065D+02  0.102122D+02
      5  -0.904630D+01  0.370877D+02 -0.199068D+02 -0.384746D+01  0.326136D+01
      6   0.312425D+01 -0.246251D+02  0.145550D+02  0.401616D+01 -0.186206D+01
               191           192           193           194           195 
      1  -0.166542D+01 -0.640400D+01 -0.332101D+02 -0.423725D+02  0.853198D+00
      2  -0.109130D+02  0.138993D+01  0.344160D+01  0.468417D+02  0.147270D+01
      3   0.125784D+02  0.501407D+01  0.297685D+02 -0.446923D+01 -0.232590D+01
      4   0.223681D+02 -0.503743D+00 -0.443225D+02 -0.666067D+02  0.159856D+01
      5   0.555212D+00  0.844552D+01 -0.167148D+01  0.508093D+00 -0.119825D+01
      6   0.111567D+01 -0.247475D+01  0.280861D+01  0.914308D+00 -0.822385D+01
               196           197           198           199           200 
      1  -0.215427D+01 -0.209451D+01  0.232447D+02 -0.105630D+03 -0.233993D+02
      2   0.136845D+01  0.240531D+01 -0.209961D+02  0.356868D+02  0.248836D+02
      3   0.785820D+00 -0.310801D+00 -0.224852D+01  0.699427D+02 -0.148431D+01
      4  -0.325011D+01 -0.282784D+01 -0.372466D+00 -0.347756D+02 -0.339843D+02
      5   0.503102D+02 -0.542377D+01 -0.426603D+01  0.184591D+01  0.344102D+01
      6  -0.121903D+01  0.459295D+01 -0.484674D+00  0.439904D+01  0.920655D+00
               201           202           203           204           205 
      1   0.636744D+01  0.788782D+02  0.152830D+02 -0.380650D+01  0.970473D+01
      2  -0.232150D+01 -0.473473D+02 -0.238108D+02  0.194095D+01 -0.444796D+01
      3  -0.404594D+01 -0.315309D+02  0.852779D+01  0.186555D+01 -0.525676D+01
      4   0.346169D+01  0.282969D+02  0.228831D+02 -0.169111D+01  0.541985D+01
      5   0.524367D+01 -0.119612D+01 -0.444667D+00  0.135528D+02  0.208721D+01
      6   0.273775D+00 -0.188407D+01 -0.732761D+00  0.877885D+01  0.218209D+01
               206           207           208           209           210 
      1   0.525647D+01 -0.164867D+02  0.306961D+02 -0.633103D+01  0.440911D+00
      2  -0.415705D+01 -0.224866D+01 -0.201539D+02  0.599177D+01  0.181236D+01
      3  -0.109942D+01  0.187354D+02 -0.105422D+02  0.339258D+00 -0.225327D+01
      4   0.339298D+01  0.177455D+02 -0.164707D+02  0.870230D+01  0.729370D+00
      5   0.221021D+02  0.357928D+01 -0.375011D+01 -0.994195D-02  0.179086D+02
      6   0.105870D+02 -0.803990D-01  0.101787D+01 -0.136293D+01  0.312633D+01
               211           212           213           214           215 
      1  -0.198251D+02  0.456959D+01  0.364611D+01 -0.945017D+00 -0.119223D+00
      2   0.116776D+02 -0.269080D+01 -0.173907D+01  0.180233D+01 -0.570513D+00
      3   0.814748D+01 -0.187878D+01 -0.190704D+01 -0.857318D+00  0.689737D+00
      4   0.265844D+02 -0.176320D+02 -0.149139D+01  0.113952D+01 -0.541811D+00
      5   0.290082D+01 -0.344187D+00  0.141672D+02  0.119339D+02 -0.424943D+01
      6  -0.309360D+00  0.268001D+00  0.124740D+02 -0.987513D+00  0.403195D+01
               216           217           218           219           220 
      1   0.525950D+01 -0.929453D+02 -0.237937D+01  0.127918D+02  0.185518D+02
      2  -0.279960D+01  0.522764D+02  0.455839D+01 -0.701803D+01 -0.589117D+01
      3  -0.245990D+01  0.406689D+02 -0.217902D+01 -0.577380D+01 -0.126606D+02
      4  -0.541466D+01  0.199439D+01  0.241243D+02 -0.258786D+01  0.160402D+01
      5  -0.287988D+01  0.115461D+02 -0.300183D+01  0.181464D+02 -0.668123D+01
      6   0.460088D+00  0.711777D+00 -0.241459D+01  0.763114D+01 -0.214974D+01
               221           222           223           224           225 
      1   0.191012D+02 -0.107793D+02  0.106317D+02 -0.594732D+01  0.247914D+02
      2  -0.907718D+01  0.353457D+01 -0.597642D+01  0.196092D+01 -0.190848D+02
      3  -0.100240D+02  0.724470D+01 -0.465528D+01  0.398640D+01 -0.570662D+01
      4   0.511678D+01 -0.124183D+00 -0.410638D+01 -0.193890D+01 -0.387139D+02
      5  -0.635086D-01 -0.632870D+02 -0.488794D+01 -0.417820D+02 -0.757266D+01
      6   0.115110D+01 -0.258098D+02 -0.789003D+01 -0.193304D+02  0.738223D-01
               226           227           228           229           230 
      1  -0.644565D+01 -0.151330D+02  0.526215D+00 -0.535255D+01 -0.555685D+02
      2   0.784471D+01  0.166414D+02 -0.310607D+00  0.534922D+01  0.733996D+02
      3  -0.139906D+01 -0.150832D+01 -0.215608D+00  0.332888D-02 -0.178311D+02
      4   0.542855D+00  0.469094D+01  0.248624D+00  0.342432D+01 -0.216274D+02
      5   0.382853D+00  0.674222D+00  0.109063D+01  0.125424D+00  0.200569D+01
      6  -0.301177D+00 -0.869568D+00  0.186872D+01  0.145817D+00 -0.947663D+00
               231           232           233           234           235 
      1  -0.577698D+00  0.753998D+00  0.131573D+00 -0.425435D+00  0.364660D+02
      2   0.687916D+00 -0.518982D+00  0.163398D+00  0.133049D+01 -0.717040D+01
      3  -0.110218D+00 -0.235016D+00 -0.294971D+00 -0.905058D+00 -0.292956D+02
      4   0.362463D-02 -0.184995D-01 -0.738918D+00  0.999756D+00 -0.517500D+02
      5  -0.197320D+01  0.227311D+01  0.595509D+00 -0.307317D+00 -0.360475D+01
      6   0.769604D+01 -0.815330D+00  0.259528D+01  0.108670D+00  0.278364D+01
               236           237           238           239           240 
      1  -0.186313D+02 -0.248805D+01 -0.175436D+02  0.902496D+01  0.823595D+00
      2  -0.189540D+01  0.653077D+00 -0.739392D+01  0.159028D+02  0.834096D+00
      3   0.205267D+02  0.183497D+01  0.249375D+02 -0.249278D+02 -0.165769D+01
      4   0.416641D+02  0.439653D+01  0.493720D+02 -0.540431D+02 -0.441857D+01
      5   0.227018D+01  0.687841D+01  0.230805D+01 -0.202184D+01 -0.630443D+01
      6  -0.212223D+01 -0.394834D+01 -0.232202D+01  0.279959D+01  0.552510D+01
               241           242           243           244           245 
      1  -0.349567D+01  0.148425D+01 -0.525119D+00  0.102360D+02  0.110827D+02
      2   0.558981D+00  0.452836D+00  0.123890D+01 -0.277040D+01 -0.374304D+01
      3   0.293668D+01 -0.193709D+01 -0.713777D+00 -0.746557D+01 -0.733969D+01
      4   0.524582D+01 -0.432883D+01 -0.301599D+01  0.167120D+02  0.133242D+02
      5  -0.896752D+00 -0.214412D+01 -0.804408D+00 -0.324284D+00 -0.522198D+00
      6   0.118257D+01  0.216391D+01  0.511694D+00 -0.124845D+00 -0.451350D+00
               246           247           248           249           250 
      1  -0.493686D+00  0.991771D+01 -0.670830D+01 -0.555187D+00 -0.420316D+00
      2   0.259289D+00  0.158340D+01  0.195686D+02  0.128188D-01  0.246763D+00
      3   0.234397D+00 -0.115011D+02 -0.128603D+02  0.542369D+00  0.173553D+00
      4  -0.102287D+01  0.241519D+02  0.401707D+02 -0.572355D+00 -0.685019D+00
      5   0.100443D+01  0.157401D+00  0.143987D+01  0.350875D+01  0.536627D+00
      6   0.238004D+00 -0.344673D-01  0.142472D+00  0.434075D+01  0.170258D+01
               251           252           253           254           255 
      1  -0.118131D+01 -0.105172D+01  0.325777D+01  0.325737D+01  0.834775D+01
      2   0.688600D+00  0.191390D+01 -0.182272D+01 -0.297826D+01 -0.391697D+01
      3   0.492713D+00 -0.862183D+00 -0.143504D+01 -0.279112D+00 -0.443078D+01
      4  -0.275748D-01 -0.352587D+00 -0.162350D+01 -0.362925D+01  0.175350D+01
      5  -0.124079D+01 -0.789647D-01  0.615766D+01  0.295756D+00 -0.688443D+01
      6   0.101626D+01  0.294265D-01  0.212846D+01 -0.600084D+00 -0.404792D+01
               256           257           258           259           260 
      1   0.590178D+01 -0.152627D+01 -0.481246D+00  0.259384D+02  0.499068D+01
      2  -0.310187D-01  0.851073D+01  0.500185D+01 -0.119601D+02  0.204676D+01
      3  -0.587076D+01 -0.698446D+01 -0.452060D+01 -0.139783D+02 -0.703744D+01
      4   0.190087D+02  0.276285D+02  0.191641D+02  0.250616D+02  0.267798D+02
      5   0.117207D+02  0.200786D+02  0.264948D+02  0.229844D+02  0.281719D+02
      6   0.511146D+01  0.981100D+01  0.126791D+02  0.946378D+01  0.138317D+02
               261           262           263           264           265 
      1  -0.577009D+01  0.199755D+03  0.138214D+02 -0.125159D+02 -0.119083D+02
      2   0.115056D+01 -0.103347D+03 -0.420756D+01  0.739148D+01  0.939878D+01
      3   0.461953D+01 -0.964082D+02 -0.961388D+01  0.512445D+01  0.250949D+01
      4   0.261899D+02  0.369818D+02  0.186297D+02 -0.229229D+01  0.163898D+02
      5   0.506371D+02 -0.149838D+02 -0.100349D+01  0.184416D+02  0.767696D+00
      6   0.182069D+02 -0.218826D+01 -0.821264D+00  0.304385D+01 -0.704209D+00
               266           267           268           269           270 
      1   0.144659D+02  0.112218D+01 -0.137600D+02 -0.451118D+00  0.138797D+02
      2  -0.701869D+01 -0.861859D+00  0.821557D+01  0.109365D+00 -0.790712D+01
      3  -0.744717D+01 -0.260320D+00  0.554439D+01  0.341752D+00 -0.597259D+01
      4  -0.732603D+00 -0.138137D+01 -0.259566D+01 -0.162948D+01  0.589144D+01
      5  -0.157867D+01  0.840335D+00  0.216367D+02  0.502755D+01 -0.416547D+01
      6  -0.123508D+00  0.183082D+01  0.302482D+01  0.288349D+01 -0.727253D+00
               271           272           273           274           275 
      1  -0.113271D+01  0.501024D+01 -0.125275D+02  0.536369D+01 -0.718977D+01
      2  -0.539691D-02 -0.456939D+01  0.540651D+01 -0.919126D+00  0.109872D+02
      3   0.113811D+01 -0.440849D+00  0.712100D+01 -0.444457D+01 -0.379740D+01
      4  -0.373123D+01 -0.710428D+01  0.235804D+01  0.164204D+02  0.286574D+02
      5  -0.507046D+01  0.364381D+01 -0.118676D+02 -0.830994D+01 -0.204237D+02
      6  -0.158812D+01  0.351356D+01 -0.671718D+01 -0.465714D+01 -0.128218D+02
               276           277           278           279 
      1   0.757121D+01 -0.217507D+02  0.239212D+01 -0.132826D+02
      2  -0.728164D+01  0.106187D+02 -0.397093D+01  0.250569D+01
      3  -0.289568D+00  0.111320D+02  0.157881D+01  0.107769D+02
      4  -0.206297D+02 -0.186668D+02 -0.244566D+02  0.262381D+02
      5   0.273750D+02  0.179886D+02  0.274563D+02 -0.440832D+02
      6   0.150064D+02  0.839319D+01  0.156628D+02 -0.196055D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.214599D+01      0.545456D+01      0.181945D+02
   x         -0.205154D+01     -0.521450D+01     -0.173937D+02
   y          0.144099D+00      0.366262D+00      0.122172D+01
   z         -0.612924D+00     -0.155790D+01     -0.519659D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182708D+03      0.270745D+02      0.301245D+02
   aniso      0.148097D+03      0.219458D+02      0.244180D+02
   xx         0.276001D+03      0.408992D+02      0.455064D+02
   yx        -0.698195D+01     -0.103462D+01     -0.115117D+01
   yy         0.160135D+03      0.237295D+02      0.264027D+02
   zx        -0.123091D+02     -0.182402D+01     -0.202950D+01
   zy         0.186296D+01      0.276062D+00      0.307160D+00
   zz         0.111988D+03      0.165950D+02      0.184644D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.198782D+03      0.294564D+02      0.327747D+02
   aniso      0.161752D+03      0.239692D+02      0.266694D+02
   xx         0.300754D+03      0.445672D+02      0.495877D+02
   yx        -0.917743D+01     -0.135995D+01     -0.151315D+01
   yy         0.173544D+03      0.257165D+02      0.286135D+02
   zx        -0.130669D+02     -0.193631D+01     -0.215444D+01
   zy         0.212507D+01      0.314902D+00      0.350376D+00
   zz         0.122047D+03      0.180855D+02      0.201228D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.03032674         -1.53614494          1.45802895
     6         -0.40686792          1.05294070          2.08052490
     6          0.95071921         -2.16942227         -0.94391014
     6          1.56147538         -0.34883026         -2.69474968
     6          1.17261553          2.22295217         -2.05924791
     6          0.22112581          2.89897364          0.24835520
     6         -0.65580265         -3.38986757          3.28590797
     1          1.23874679         -4.14909030         -1.39057990
     1          1.62299653          3.67164593         -3.43253394
     1         -0.06928446          4.87477777          0.69757010
     6          2.60160473         -1.04665650         -5.26557781
     6          5.24877169          0.00121637         -5.75082758
     6          0.78413516         -0.31236429         -7.40329264
     1          2.69186496         -3.11401840         -5.35506871
     1          5.92502113         -0.58313216         -7.60297792
     1          6.54856874         -0.68060275         -4.30563665
     1          5.24985530          2.06014458         -5.70638795
     8          1.43746567          0.48096423         -9.41985170
     8         -1.69427245         -0.70880413         -6.91155730
     1         -1.90436302         -1.18749399         -5.15579427
     6         -1.60012769         -2.72130192          5.59007984
     6         -1.97609214         -0.14231789          6.20340013
     6         -1.38977477          1.71170793          4.47952416
     8         -2.92573118          0.27526873          8.54876791
     6         -3.36036901          2.80971306          9.30335281
     1         -0.37339857         -5.36526026          2.83054391
     1         -2.08274661         -4.12406193          6.99611429
     1         -1.66152977          3.68837255          4.90971004
     1         -1.60454181          3.90001390          9.30839808
     1         -4.11262685          2.71296143         11.21217472
     1         -4.73479231          3.73273743          8.06617871

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.214599D+01      0.545456D+01      0.181945D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.214599D+01      0.545456D+01      0.181945D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182708D+03      0.270745D+02      0.301245D+02
   aniso      0.148097D+03      0.219458D+02      0.244180D+02
   xx         0.132243D+03      0.195964D+02      0.218040D+02
   yx        -0.131450D+01     -0.194788D+00     -0.216731D+00
   yy         0.159679D+03      0.236619D+02      0.263274D+02
   zx        -0.553526D+02     -0.820242D+01     -0.912642D+01
   zy        -0.246433D+01     -0.365176D+00     -0.406313D+00
   zz         0.256202D+03      0.379653D+02      0.422421D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.198782D+03      0.294564D+02      0.327747D+02
   aniso      0.161752D+03      0.239692D+02      0.266694D+02
   xx         0.143869D+03      0.213192D+02      0.237208D+02
   yx        -0.827959D+00     -0.122691D+00     -0.136512D+00
   yy         0.172912D+03      0.256229D+02      0.285093D+02
   zx        -0.599913D+02     -0.888979D+01     -0.989122D+01
   zy        -0.405724D+01     -0.601220D+00     -0.668948D+00
   zz         0.279564D+03      0.414271D+02      0.460938D+02

 ----------------------------------------------------------------------
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 115,0.00000422,-0.00000023,0.00000004,0.00000064,-0.00000003,-0.000000
 03,0.00000048,0.00000025,-0.00000128,-0.00000058,0.00000010,0.00000013
 ,-0.00000025,0.00000016,0.00000026,-0.00000020,0.00000033,0.00000015,-
 0.00000063,0.00000056\\\@


 HE THAT RISETH LATE MUST TROT ALL DAY.

                  -- BENJAMIN FRANKLIN
 Job cpu time:       1 days 14 hours 34 minutes 38.8 seconds.
 Elapsed time:       0 days  4 hours 49 minutes 32.9 seconds.
 File lengths (MBytes):  RWF=    749 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 15:36:42 2021.
